N-(4-chloro-2-fluorophenyl)-2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-(4-chloro-2-fluorophenyl)-2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-6873 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide |
| Molecular Weight: | 572.06 |
| Molecular Formula: | C31 H23 Cl F N3 O3 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2c(c1)N(CC(Nc1ccc(cc1F)[Cl])=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0724 |
| logD: | 6.063 |
| logSw: | -6.1539 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.162 |
| InChI Key: | BRZCBXLZFRDPQB-UHFFFAOYSA-N |