N-[2-(4-benzylpiperidin-1-yl)ethyl]-10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperidin-1-yl)ethyl]-10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-benzylpiperidin-1-yl)ethyl]-10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7122 |
| Compound Name: | N-[2-(4-benzylpiperidin-1-yl)ethyl]-10-[(2-chloro-4-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 614.18 |
| Molecular Formula: | C35 H33 Cl F N3 O2 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)CCNC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.7794 |
| logD: | 7.2414 |
| logSw: | -6.5466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.366 |
| InChI Key: | GQISDZSMBDPNGJ-UHFFFAOYSA-N |