4-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
4-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7651 |
| Compound Name: | 4-{[N-cyclopropyl(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 418.51 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Smiles: | CC(C)NC(N(Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8707 |
| logD: | 3.8707 |
| logSw: | -4.04 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.448 |
| InChI Key: | ZJQLMLDNQUNIBE-UHFFFAOYSA-N |