3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016338 |
| Compound Name: | 3-pentyl-2-{[(pyridin-4-yl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 436.58 |
| Molecular Formula: | C24 H28 N4 O2 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCc1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3042 |
| logD: | 3.2971 |
| logSw: | -3.5252 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.464 |
| InChI Key: | ZSLJQRNOSAGOPB-UHFFFAOYSA-N |