5-{[N-di(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-di(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[N-di(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1988 |
| Compound Name: | 5-{[N-di(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 489.42 |
| Molecular Formula: | C21 H26 Cl2 N2 O5 S |
| Smiles: | CC(C)NC(N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8596 |
| logD: | 4.8596 |
| logSw: | -4.9676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.061 |
| InChI Key: | RDVDAHGATYAETD-UHFFFAOYSA-N |