2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)quinazolin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 4222-0075 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2,2-dimethyloxan-4-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 487.41 |
| Molecular Formula: | C23 H23 Br N2 O3 S |
| Smiles: | CC1(C)CC(CCO1)N1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4427 |
| logD: | 4.4427 |
| logSw: | -4.4323 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.438 |
| InChI Key: | WAQRZKRMSBABLK-KRWDZBQOSA-N |