3-(3,5-dimethylphenyl)-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
3-(3,5-dimethylphenyl)-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0157 |
| Compound Name: | 3-(3,5-dimethylphenyl)-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 530.6 |
| Molecular Formula: | C28 H26 N4 O5 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCOCC1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0641 |
| logD: | 4.0598 |
| logSw: | -4.1554 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.098 |
| InChI Key: | XUAJLMXCUAUJDL-UHFFFAOYSA-N |