10-[(2,5-dimethylphenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2,5-dimethylphenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1035 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C31 H35 N3 O3 S |
| Smiles: | CC1CCCCN1CCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3881 |
| logD: | 3.1554 |
| logSw: | -4.2098 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.473 |
| InChI Key: | HQJQVJGKUAITNQ-UHFFFAOYSA-N |