3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V009-7711 |
| Compound Name: | 3-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C24 H30 N2 O5 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(C1CCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4054 |
| logD: | 3.4053 |
| logSw: | -3.736 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.324 |
| InChI Key: | GDDYIGYZVIHCTI-KRWDZBQOSA-N |