8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0559 |
| Compound Name: | 8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 502.63 |
| Molecular Formula: | C29 H30 N2 O4 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc2c(c1)N(Cc1cccc(C)c1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0933 |
| logD: | 5.0933 |
| logSw: | -4.8188 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.896 |
| InChI Key: | CVPBRVJLXKOVQI-UHFFFAOYSA-N |