4-(4-methylphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
Chemical Structure Depiction of
4-(4-methylphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
4-(4-methylphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine
Compound characteristics
| Compound ID: | 2187-2164 |
| Compound Name: | 4-(4-methylphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C22 H18 N2 O2 S |
| Smiles: | Cc1ccc(cc1)C1CC(c2ccc(cc2)[N+]([O-])=O)Sc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8553 |
| logD: | 5.854 |
| logSw: | -5.7063 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.24 |
| InChI Key: | BYVMQPIWSCYXIH-QFIPXVFZSA-N |