4-{[N-cyclopropyl(2-methylphenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-cyclopropyl(2-methylphenyl)carbamamido]methyl}phenyl ethanesulfonate
4-{[N-cyclopropyl(2-methylphenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-0758 |
| Compound Name: | 4-{[N-cyclopropyl(2-methylphenyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 388.48 |
| Molecular Formula: | C20 H24 N2 O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)C(Nc2ccccc2C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4847 |
| logD: | 3.4847 |
| logSw: | -3.5985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.985 |
| InChI Key: | ZHPMOUWRSXNAOA-UHFFFAOYSA-N |