4-[(3-chlorophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide
Chemical Structure Depiction of
4-[(3-chlorophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide
4-[(3-chlorophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K672-0371 |
| Compound Name: | 4-[(3-chlorophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide |
| Molecular Weight: | 364.85 |
| Molecular Formula: | C17 H17 Cl N2 O3 S |
| Smiles: | CCN(CC)C(c1ccc(c(c1)[N+]([O-])=O)Sc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4453 |
| logD: | 4.4453 |
| logSw: | -4.5715 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.979 |
| InChI Key: | NEKLMDCNQLDGAL-UHFFFAOYSA-N |