N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[8-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-6872 |
| Compound Name: | N-(3-chloro-4-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(c(c1)[Cl])F)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1807 |
| logD: | 6.1714 |
| logSw: | -6.0902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.86 |
| InChI Key: | QQWXBPSIZVFEBU-UHFFFAOYSA-N |