2[4-(3-bromopropyl)-3-propylphenyl]-6,7-dihydro-5H-pyrano(2,3-d]thiazole

HCID 67018972

Notes Reactions

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Basic information

Standard SMILES: CCCc1cc(-c2nc3c(s2)CCCO3)ccc1CCCBr
InChIKey: LXFDNOCZXLWDNS-UHFFFAOYSA-N
Molecular formula: C18H22BrNOS
Average molar mass: 380.3 g/mol

Names & identifiers

Preferred name: 2[4-(3-bromopropyl)-3-propylphenyl]-6,7-dihydro-5H-pyrano(2,3-d]thiazole
IUPAC: 2-[4-(3-bromopropyl)-3-propylphenyl]-6,7-dihydro-5H-pyrano[2,3-d][1,3]thiazole

Names & synonyms

2[4-(3-bromopropyl)-3-propylphenyl]-6,7-dihydro-5H-pyrano(2,3-d]thiazole2[4-(3-bromopropyl)-3-propylphenyl]-6,7-dihydro-5H-pyrano{2,3-d]thiazoleSCHEMBL1400674LXFDNOCZXLWDNS-UHFFFAOYSA-N

Database identifiers

PubChem CID: 67018972

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 343

Related reactions

5 records

New reaction record

HRID 159086As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 603513As productuspto-grants-2011_03

HRID 603515As reactantuspto-grants-2011_03

HRID 2235978As productuspto-grants-2010_05

HRID 2235980As reactantuspto-grants-2010_05

Compound notes

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