8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(2-methylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(2-methylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(2-methylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0031 |
| Compound Name: | 8-(3,5-dimethylpiperidine-1-carbonyl)-10-[(2-methylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C29 H30 N2 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc2c(c1)N(Cc1ccccc1C)C(c1ccccc1S2=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9358 |
| logD: | 4.9358 |
| logSw: | -4.5409 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.3 |
| InChI Key: | ROXYMLWBBJJSBP-UHFFFAOYSA-N |