3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
Chemical Structure Depiction of
3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione
Compound characteristics
| Compound ID: | Y020-5946 |
| Compound Name: | 3-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)sulfanyl]-1-(4-nitrophenyl)pyrrolidine-2,5-dione |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | Cc1c2CCCCc2nc(n1)SC1CC(N(C1=O)c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0057 |
| logD: | 3.0048 |
| logSw: | -3.4311 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.831 |
| InChI Key: | VKLVUOYTJOZIEC-INIZCTEOSA-N |