2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one
2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V003-4385 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-3-(2,5-dichlorophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 492.22 |
| Molecular Formula: | C21 H13 Br Cl2 N2 O S |
| Smiles: | C(c1ccc(cc1)[Br])SC1=Nc2ccccc2C(N1c1cc(ccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8579 |
| logD: | 5.8578 |
| logSw: | -5.9772 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.8586 |
| InChI Key: | KKPZMWMHKCOQNK-UHFFFAOYSA-N |