5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4866 |
| Compound Name: | 5-{[ethyl-N-(propan-2-yl)carbamamido]methyl}-2-methoxyphenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C21 H28 N2 O6 S |
| Smiles: | CCNC(N(Cc1ccc(c(c1)OS(c1ccc(cc1)OC)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2523 |
| logD: | 3.2523 |
| logSw: | -3.6972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.256 |
| InChI Key: | LMXPXCZMIAWCPE-UHFFFAOYSA-N |