propan-2-yl 3-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
propan-2-yl 3-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
propan-2-yl 3-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D365-0042 |
| Compound Name: | propan-2-yl 3-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CC(C)OC(c1cccc(c1)NC(CSC1NC(C2CCCCC=2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0338 |
| logD: | 2.8186 |
| logSw: | -3.4482 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.054 |
| InChI Key: | JVIUONDJNUTYNE-UHFFFAOYSA-N |