3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0108 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C28 H26 N4 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCCC1)=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7214 |
| logD: | 4.7171 |
| logSw: | -4.5227 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.555 |
| InChI Key: | RDZAXSHUKJHBON-UHFFFAOYSA-N |