2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016305 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentyl-7-(piperidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCCCC1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0878 |
| logD: | 5.0878 |
| logSw: | -4.8462 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.051 |
| InChI Key: | FKAXJIGLUPPOMH-UHFFFAOYSA-N |