2-{[(4-bromophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
2-{[(4-bromophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | D365-0006 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazolin-4(3H)-one |
| Molecular Weight: | 351.26 |
| Molecular Formula: | C15 H15 Br N2 O S |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.316 |
| logD: | 3.175 |
| logSw: | -3.5716 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.472 |
| InChI Key: | NHWRSYQXOMNITK-UHFFFAOYSA-N |