2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
Compound characteristics
Compound ID: | E140-0555 |
Compound Name: | 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4,3-d]pyrimidin-2-yl}sulfanyl)-N-(3-chlorophenyl)acetamide |
Molecular Weight: | 484.96 |
Molecular Formula: | C23 H21 Cl N4 O4 S |
Smiles: | C1CN(CC2=C1N=C(NC2=O)SCC(Nc1cccc(c1)[Cl])=O)Cc1ccc2c(c1)OCO2 |
Stereo: | ACHIRAL |
logP: | 3.1579 |
logD: | 2.6085 |
logSw: | -3.5357 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.211 |
InChI Key: | QNHFTJZJOKLBNY-UHFFFAOYSA-N |