2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one
2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4423 |
| Compound Name: | 2-{[(3-bromophenyl)methyl]sulfanyl}-3-(3,3-diethoxypropyl)quinazolin-4(3H)-one |
| Molecular Weight: | 477.42 |
| Molecular Formula: | C22 H25 Br N2 O3 S |
| Smiles: | CCOC(CCN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)[Br])OCC |
| Stereo: | ACHIRAL |
| logP: | 4.4753 |
| logD: | 4.4753 |
| logSw: | -4.344 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.675 |
| InChI Key: | NWUNBYPVZPOGOC-UHFFFAOYSA-N |