2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2081 |
| Compound Name: | 2-{[2-chloro-N-(2-methylpropyl)benzamido]methyl}-5-(diethylamino)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 559.12 |
| Molecular Formula: | C29 H35 Cl N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(CC(C)C)C(c2ccccc2[Cl])=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2872 |
| logD: | 6.2764 |
| logSw: | -6.0241 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.578 |
| InChI Key: | APWDKEMHHDNBCP-UHFFFAOYSA-N |