3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-5410 |
| Compound Name: | 3-{[(propan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 483.53 |
| Molecular Formula: | C22 H20 F3 N O4 S2 |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2225 |
| logD: | 5.2225 |
| logSw: | -5.2087 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.973 |
| InChI Key: | KFAAHELIAOEGRO-UHFFFAOYSA-N |