4-(morpholine-4-sulfonyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Chemical Structure Depiction of
4-(morpholine-4-sulfonyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
4-(morpholine-4-sulfonyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide
Compound characteristics
| Compound ID: | A0062169 |
| Compound Name: | 4-(morpholine-4-sulfonyl)-N-({5-({2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)benzamide |
| Molecular Weight: | 667.71 |
| Molecular Formula: | C26 H24 F3 N7 O5 S3 |
| Smiles: | C(c1nnc(n1c1cccc(c1)C(F)(F)F)SCC(Nc1nccs1)=O)NC(c1ccc(cc1)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6934 |
| logD: | 2.693 |
| logSw: | -3.2703 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 123.621 |
| InChI Key: | LLYZTSSBFGSXTA-UHFFFAOYSA-N |