4-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
4-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-3960 |
| Compound Name: | 4-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 422.93 |
| Molecular Formula: | C20 H23 Cl N2 O4 S |
| Smiles: | CCNC(N(Cc1ccc(cc1)OS(c1c(C)cccc1[Cl])(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9731 |
| logD: | 3.9731 |
| logSw: | -4.183 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.555 |
| InChI Key: | XMPIJQMVXQSZTM-UHFFFAOYSA-N |