N-[3-(methylsulfanyl)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-3875 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide |
| Molecular Weight: | 503.64 |
| Molecular Formula: | C27 H25 N3 O3 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(c2ccccc2Sc2ccc(cc12)C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7549 |
| logD: | 4.7549 |
| logSw: | -4.3303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.564 |
| InChI Key: | XUVOXBFCKDXDOC-UHFFFAOYSA-N |