10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0576 |
| Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 513.03 |
| Molecular Formula: | C27 H26 Cl F N2 O3 S |
| Smiles: | CC(C)OCCCNC(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.486 |
| logD: | 5.486 |
| logSw: | -5.6764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.128 |
| InChI Key: | QLJOOVYFFTUCGW-UHFFFAOYSA-N |