propan-2-yl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
propan-2-yl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
propan-2-yl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D365-0136 |
| Compound Name: | propan-2-yl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | CC(C)OC(c1ccc(CSC2NC(C3CCCCC=3N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1777 |
| logD: | 3.0367 |
| logSw: | -3.4206 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.905 |
| InChI Key: | KWKZJFGVFUAFBV-UHFFFAOYSA-N |