N-(2-nitrophenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-nitrophenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide
N-(2-nitrophenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | G857-0037 |
Compound Name: | N-(2-nitrophenyl)-2-[(2-oxo-1,2,5,6,7,8-hexahydroquinazolin-4-yl)sulfanyl]acetamide |
Molecular Weight: | 360.39 |
Molecular Formula: | C16 H16 N4 O4 S |
Smiles: | C1CCC2=C(C1)C(=NC(N2)=O)SCC(Nc1ccccc1[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.1092 |
logD: | 2.0799 |
logSw: | -2.7132 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.924 |
InChI Key: | ZQVOBOVAJFODHQ-UHFFFAOYSA-N |