2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4739 |
| Compound Name: | 2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 527.68 |
| Molecular Formula: | C28 H37 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(C2CCC2)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0734 |
| logD: | 4.0625 |
| logSw: | -4.0235 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.071 |
| InChI Key: | UPTYOKDIPALAHL-UHFFFAOYSA-N |