4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1075 |
| Compound Name: | 4-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C22 H29 N3 O6 S |
| Smiles: | CC(C)NC(N(CCOC)Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3417 |
| logD: | 2.3416 |
| logSw: | -2.8923 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.182 |
| InChI Key: | MNOQVWMWBWKDHW-UHFFFAOYSA-N |