2-{[(cyclobutanecarbonyl)(cyclopropyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(cyclobutanecarbonyl)(cyclopropyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[(cyclobutanecarbonyl)(cyclopropyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4786 |
| Compound Name: | 2-{[(cyclobutanecarbonyl)(cyclopropyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C27 H35 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(C2CCC2)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8424 |
| logD: | 3.8315 |
| logSw: | -3.841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.123 |
| InChI Key: | DNOCOTGFYQTTIB-UHFFFAOYSA-N |