methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | C700-1266 |
| Compound Name: | methyl 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C18 H19 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CSC1NC(C2CCCCC=2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8822 |
| logD: | 1.667 |
| logSw: | -2.6914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.097 |
| InChI Key: | KXRJBAHDMACRHM-UHFFFAOYSA-N |