Benzyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylate
Basic information
- CAS
609794-30-1- Standard SMILES
COc1cc(C2C(C(=O)OCc3ccccc3)=C(C)N=C3SCCC(=O)N32)cc(OC)c1OC- InChIKey
OJQKVWVYCUDAKN-UHFFFAOYSA-N- Molecular formula
- C25H26N2O6S
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.15115773
Names & identifiers
- Preferred name
- Benzyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylate
- IUPAC
- benzyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
- English name
- SALOR-INT L432466-1EA
- Molecular formula
- C25H26N2O6S
- Molecular weight
- 482.55
Names & synonyms
benzyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate609794-30-1Benzyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylateRefChem:566721645-806-9STK812992AKOS001490629AKOS016068070Z57781998SALOR-INT L432466-1EAbenzyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate2H,6H-Pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid, 3,4-dihydro-8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-, phenylmethyl ester
Database identifiers
- CAS
609794-30-1- PubChem CID
- 3868022
- EC Number
- 645-806-9
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 810
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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Related reactions
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Compound notes
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