10-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0559 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C28 H27 Cl N2 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9119 |
| logD: | 4.9119 |
| logSw: | -4.9274 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.3 |
| InChI Key: | QDHPAQGAQGAMTE-UHFFFAOYSA-N |