4-chloro-2-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4628 |
| Compound Name: | 4-chloro-2-{[N-cyclopropyl(ethyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 465.95 |
| Molecular Formula: | C21 H24 Cl N3 O5 S |
| Smiles: | CCNC(N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4491 |
| logD: | 3.449 |
| logSw: | -3.8731 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.904 |
| InChI Key: | NVVYUZRZYAWJKV-UHFFFAOYSA-N |