2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V007-6658 |
| Compound Name: | 2-{[(3,4-dimethylphenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1ccc(CSC2=Nc3ccccc3C(N2c2ccc(cc2)[N+]([O-])=O)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.0799 |
| logD: | 5.0797 |
| logSw: | -4.9045 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.541 |
| InChI Key: | QUHHYHPUBWEOBT-UHFFFAOYSA-N |