3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4107 |
| Compound Name: | 3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 424.95 |
| Molecular Formula: | C20 H25 Cl N2 O4 S |
| Smiles: | CCNC(N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1512 |
| logD: | 4.1512 |
| logSw: | -4.3976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.995 |
| InChI Key: | OTBRZASMMVDRDW-UHFFFAOYSA-N |