5-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8462 |
| Compound Name: | 5-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 487.4 |
| Molecular Formula: | C21 H24 Cl2 N2 O5 S |
| Smiles: | CC(C)NC(N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7235 |
| logD: | 4.7235 |
| logSw: | -4.8813 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.621 |
| InChI Key: | XMRAIOCEMZLQRY-UHFFFAOYSA-N |