3-{(Z)-[3-(2-Chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-furylmethyl)amino]-4H-pyrido[1,2-A]pyrimidin-4-one

HCID 5907855

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Basic information

CAS: 609793-05-7
Standard SMILES: O=C1/C(=C/c2c(NCc3ccco3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl
InChIKey: NTEGKXVYSHHXKB-UNOMPAQXSA-N
Molecular formula: C24H17ClN4O3S2
Average molar mass: 509 g/mol
Monoisotopic mass: 508.0430605

Names & identifiers

Preferred name: 3-{(Z)-[3-(2-Chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-furylmethyl)amino]-4H-pyrido[1,2-A]pyrimidin-4-one
IUPAC: (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
English name: SALOR-INT L431761-1EA
Molecular formula: C24H17ClN4O3S2
Molecular weight: 509

Names & synonyms

3-{(Z)-[3-(2-CHLOROBENZYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-[(2-FURYLMETHYL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE3-((Z)-(3-(2-CHLOROBENZYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-2-((2-FURYLMETHYL)AMINO)-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONERefChem:489023609793-05-7645-926-1STK812921AKOS0021932363-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(furan-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-oneSALOR-INT L431761-1EA3-((Z)-[3-(2-CHLOROBENZYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL)-2-[(2-FURYLMETHYL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

Database identifiers

CAS: 609793-05-7
PubChem CID: 5907855
EC Number: 645-926-1

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 136 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 34
Formal charge: 0
Complexity: 1,050

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 413 · H413-H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H413-H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers2 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

SIGMAALDRICH—

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