3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2536 |
| Compound Name: | 3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate |
| Molecular Weight: | 458.5 |
| Molecular Formula: | C21 H25 F3 N2 O4 S |
| Smiles: | CC(C)NC(N(Cc1cccc(c1)OS(c1cccc(c1)C(F)(F)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7477 |
| logD: | 4.7477 |
| logSw: | -4.5603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.343 |
| InChI Key: | CZRWYXHLBDIQPA-UHFFFAOYSA-N |