3-(3,3-diethoxypropyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,3-diethoxypropyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(3,3-diethoxypropyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-4594 |
| Compound Name: | 3-(3,3-diethoxypropyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 416.51 |
| Molecular Formula: | C22 H25 F N2 O3 S |
| Smiles: | CCOC(CCN1C(=Nc2ccccc2C1=O)SCc1cccc(c1)F)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.8865 |
| logD: | 3.8865 |
| logSw: | -3.9111 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.675 |
| InChI Key: | NQIXACJAXKKMEK-UHFFFAOYSA-N |