7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentylquinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentylquinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | A0016309 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3-pentylquinazolin-4(3H)-one |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C30 H30 N4 O4 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(N1CCc2ccccc2C1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.9571 |
| logD: | 5.9571 |
| logSw: | -5.3193 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.713 |
| InChI Key: | YEMDWGSPDALVOY-UHFFFAOYSA-N |