4-{[N-cyclopropyl(4-ethylphenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-cyclopropyl(4-ethylphenyl)carbamamido]methyl}phenyl ethanesulfonate
4-{[N-cyclopropyl(4-ethylphenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-0747 |
| Compound Name: | 4-{[N-cyclopropyl(4-ethylphenyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C21 H26 N2 O4 S |
| Smiles: | CCc1ccc(cc1)NC(N(Cc1ccc(cc1)OS(CC)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2245 |
| logD: | 4.2244 |
| logSw: | -4.0621 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.683 |
| InChI Key: | KGQRGBJHCQKZTE-UHFFFAOYSA-N |