3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-2709 |
| Compound Name: | 3-{[ethyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Smiles: | CCNC(N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5574 |
| logD: | 3.5574 |
| logSw: | -3.8114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.539 |
| InChI Key: | STZAVJINZBRVHS-UHFFFAOYSA-N |