3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V010-3129 |
| Compound Name: | 3-(3,5-dimethylphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2ccccc2C1=O)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8597 |
| logD: | 4.8572 |
| logSw: | -4.6937 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.541 |
| InChI Key: | KHVTYWSCNMPGDU-UHFFFAOYSA-N |