10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7115 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 572.1 |
| Molecular Formula: | C32 H27 Cl F N3 O2 S |
| Smiles: | C1CN(CCNC(c2ccc3c(c2)N(Cc2ccc(cc2[Cl])F)C(c2ccccc2S3)=O)=O)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 6.6978 |
| logD: | 6.584 |
| logSw: | -6.3855 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.3 |
| InChI Key: | XBHQXGHOAQOPDF-UHFFFAOYSA-N |