10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0586 |
| Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 510.03 |
| Molecular Formula: | C27 H25 Cl F N3 O2 S |
| Smiles: | C1CCN(C1)CCNC(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1346 |
| logD: | 3.7264 |
| logSw: | -5.413 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.004 |
| InChI Key: | UIUUVXYBEXUDED-UHFFFAOYSA-N |