ethyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
ethyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
ethyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | D467-0104 |
| Compound Name: | ethyl 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | CCOC(c1ccc(CSC2NC(C3CCCCC=3N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0835 |
| logD: | 2.9425 |
| logSw: | -3.3216 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.225 |
| InChI Key: | OPNVGSUQHFIERJ-UHFFFAOYSA-N |