4-[(2-chlorophenyl)sulfanyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-chlorophenyl)sulfanyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
4-[(2-chlorophenyl)sulfanyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2405 |
| Compound Name: | 4-[(2-chlorophenyl)sulfanyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 419.93 |
| Molecular Formula: | C20 H22 Cl N3 O3 S |
| Smiles: | CCN1CCCC1CNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3411 |
| logD: | 3.8007 |
| logSw: | -4.4981 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.368 |
| InChI Key: | JVIVUSCHJWLOEZ-OAHLLOKOSA-N |