2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1956 |
| Compound Name: | 2-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 539.52 |
| Molecular Formula: | C26 H32 Cl2 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC2CC2)C(C2CCC2)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9705 |
| logD: | 5.9597 |
| logSw: | -6.1244 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.809 |
| InChI Key: | OOBRZOLHUQOSMH-UHFFFAOYSA-N |