N-(4-bromo-2-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
N-(4-bromo-2-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C700-1253 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C16 H15 Br F N3 O2 S |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8381 |
| logD: | 2.6229 |
| logSw: | -3.3737 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.923 |
| InChI Key: | XNMIDHKHTBECES-UHFFFAOYSA-N |