10-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1351 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-(3,5-dimethylpiperidine-1-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C30 H32 N2 O4 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4928 |
| logD: | 5.4928 |
| logSw: | -5.3445 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.896 |
| InChI Key: | QHJQVNJNJZXWKM-UHFFFAOYSA-N |