10-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0955 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 500.66 |
| Molecular Formula: | C30 H32 N2 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3632 |
| logD: | 5.3632 |
| logSw: | -5.2762 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.3 |
| InChI Key: | XNOSPHKIIKWBHK-UHFFFAOYSA-N |