4-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-7958 |
| Compound Name: | 4-{[N-(2-methylpropyl)(propan-2-yl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C23 H31 N3 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(NC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6779 |
| logD: | 3.6778 |
| logSw: | -3.8885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.862 |
| InChI Key: | FABPIPNDPAUDNA-UHFFFAOYSA-N |