5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4290 |
| Compound Name: | 5-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 489.42 |
| Molecular Formula: | C21 H26 Cl2 N2 O5 S |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7199 |
| logD: | 4.7199 |
| logSw: | -4.8835 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.968 |
| InChI Key: | DGSZVXXXZLYUBE-UHFFFAOYSA-N |