10-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0588 |
| Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 538.08 |
| Molecular Formula: | C29 H29 Cl F N3 O2 S |
| Smiles: | CC1CCCCN1CCNC(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5567 |
| logD: | 4.3239 |
| logSw: | -5.6655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.089 |
| InChI Key: | SYNRQYRZKMBATH-IBGZPJMESA-N |