methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D365-0132 |
| Compound Name: | methyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | COC(c1ccc(CSC2NC(C3CCCCC=3N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5729 |
| logD: | 2.4318 |
| logSw: | -2.8679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.646 |
| InChI Key: | WWPDJIUMWGAFTL-UHFFFAOYSA-N |