N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C700-1259 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 367.83 |
| Molecular Formula: | C16 H15 Cl F N3 O2 S |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8878 |
| logD: | 2.6725 |
| logSw: | -3.5565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.621 |
| InChI Key: | NCSVTCHYSBFVQZ-UHFFFAOYSA-N |