N-[3-(methylsulfanyl)phenyl]-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-[3-(methylsulfanyl)phenyl]-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-6624 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-[8-(morpholine-4-carbonyl)-11-oxodibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C27 H25 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(c2ccccc2Sc2ccc(cc12)C(N1CCOCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8835 |
| logD: | 3.8835 |
| logSw: | -4.0146 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.107 |
| InChI Key: | NAQRYTHVLJBTTL-UHFFFAOYSA-N |