3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2048 |
| Compound Name: | 3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 438.97 |
| Molecular Formula: | C21 H27 Cl N2 O4 S |
| Smiles: | CCNC(N(CC(C)C)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5029 |
| logD: | 4.5029 |
| logSw: | -4.5627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.251 |
| InChI Key: | IMAWYYLNXNEYEQ-UHFFFAOYSA-N |