N-(3-chloro-4-fluorophenyl)-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-(3-chloro-4-fluorophenyl)-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-6880 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide |
| Molecular Weight: | 525.99 |
| Molecular Formula: | C26 H21 Cl F N3 O4 S |
| Smiles: | C1COCCN1C(c1ccc2c(c1)N(CC(Nc1ccc(c(c1)[Cl])F)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1527 |
| logD: | 4.1434 |
| logSw: | -4.4832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.107 |
| InChI Key: | VVQMSIJOBOMFBV-UHFFFAOYSA-N |