N,N-diethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N,N-diethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzamide
N,N-diethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K672-0173 |
| Compound Name: | N,N-diethyl-4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | CCN(CC)C(c1ccc(c(c1)[N+]([O-])=O)SCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8356 |
| logD: | 3.8356 |
| logSw: | -3.9468 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.979 |
| InChI Key: | SVMQXXCJRNRGNJ-UHFFFAOYSA-N |