2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4750 |
| Compound Name: | 2-{[(butan-2-yl)(cyclobutanecarbonyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C28 H39 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)N(CC)CC)C(C1CCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4426 |
| logD: | 4.4317 |
| logSw: | -4.2811 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.147 |
| InChI Key: | ITMZMQISIFKDIV-FQEVSTJZSA-N |