10-[(2-chloro-4-fluorophenyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-4-fluorophenyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-7131 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 586.13 |
| Molecular Formula: | C33 H29 Cl F N3 O2 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 6.821 |
| logD: | 5.6712 |
| logSw: | -6.4083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.3 |
| InChI Key: | XXKQWUATMVKOED-UHFFFAOYSA-N |