2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-2662 |
| Compound Name: | 2-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-5-(diethylamino)phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 527.61 |
| Molecular Formula: | C25 H32 F3 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(NC(C)C)=O)c(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6489 |
| logD: | 5.6381 |
| logSw: | -5.5053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.727 |
| InChI Key: | JWJSDTOWVMYKMG-UHFFFAOYSA-N |