2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 4209-0041 |
| Compound Name: | 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-methylprop-2-en-1-yl)quinazolin-4(3H)-one |
| Molecular Weight: | 429.33 |
| Molecular Formula: | C20 H17 Br N2 O2 S |
| Smiles: | CC(=C)CN1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6151 |
| logD: | 4.6151 |
| logSw: | -4.4067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.29 |
| InChI Key: | NVRYPUNIDXSDSX-UHFFFAOYSA-N |