4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-9115 |
| Compound Name: | 4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C21 H28 N2 O6 S |
| Smiles: | CC(C)NC(N(CCOC)Cc1ccc(cc1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1229 |
| logD: | 3.1229 |
| logSw: | -3.5503 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.464 |
| InChI Key: | DAJUJXLNJWMENA-UHFFFAOYSA-N |