2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016298 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8005 |
| logD: | 4.8005 |
| logSw: | -4.5781 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.417 |
| InChI Key: | YKLGNUABABFUPX-UHFFFAOYSA-N |