5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4770 |
| Compound Name: | 5-(diethylamino)-2-{[3-fluoro-N-(2-methylpropyl)benzamido]methyl}phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 581.53 |
| Molecular Formula: | C28 H31 Cl2 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(c2cccc(c2)F)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0278 |
| logD: | 7.017 |
| logSw: | -6.5498 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.034 |
| InChI Key: | QBMDMNQIVHHMGV-UHFFFAOYSA-N |