N-(2-chloro-4-fluorophenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Chemical Structure Depiction of
N-(2-chloro-4-fluorophenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-(2-chloro-4-fluorophenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-3866 |
| Compound Name: | N-(2-chloro-4-fluorophenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide |
| Molecular Weight: | 509.99 |
| Molecular Formula: | C26 H21 Cl F N3 O3 S |
| Smiles: | C1CCN(C1)C(c1ccc2c(c1)N(CC(Nc1ccc(cc1[Cl])F)=O)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7271 |
| logD: | 4.7177 |
| logSw: | -4.927 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.866 |
| InChI Key: | NJSBAJLSJWKTOD-UHFFFAOYSA-N |