4-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1269 |
| Compound Name: | 4-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | CCNC(N(CC(C)C)Cc1ccc(cc1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.086 |
| logD: | 3.0859 |
| logSw: | -3.4207 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.513 |
| InChI Key: | FMEOAWVNEKDASR-UHFFFAOYSA-N |