methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D365-0045 |
| Compound Name: | methyl 4-{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(c1ccc(cc1)NC(CSC1NC(C2CCCCC=2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2483 |
| logD: | 2.0331 |
| logSw: | -2.7198 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.795 |
| InChI Key: | UTMAMHVWOYSUMB-UHFFFAOYSA-N |