3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2085 |
| Compound Name: | 3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 438.97 |
| Molecular Formula: | C21 H27 Cl N2 O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6153 |
| logD: | 4.6153 |
| logSw: | -4.6846 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.579 |
| InChI Key: | LCWDJZZPWIFGKN-INIZCTEOSA-N |