2-{[N-cyclopropyl(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-cyclopropyl(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[N-cyclopropyl(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7425 |
| Compound Name: | 2-{[N-cyclopropyl(ethyl)carbamamido]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 514.47 |
| Molecular Formula: | C23 H29 Cl2 N3 O4 S |
| Smiles: | CCNC(N(Cc1ccc(cc1OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)N(CC)CC)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5744 |
| logD: | 5.5637 |
| logSw: | -5.9589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.378 |
| InChI Key: | DNIXSQZZSJAFTQ-UHFFFAOYSA-N |