4-[(4-bromophenyl)sulfanyl]-N-[(3,4-dichlorophenyl)methyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-[(3,4-dichlorophenyl)methyl]-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-[(3,4-dichlorophenyl)methyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-5414 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-[(3,4-dichlorophenyl)methyl]-3-nitrobenzamide |
| Molecular Weight: | 512.21 |
| Molecular Formula: | C20 H13 Br Cl2 N2 O3 S |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 7.2326 |
| logD: | 7.232 |
| logSw: | -6.7663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.461 |
| InChI Key: | XAAMLRCWCULUQL-UHFFFAOYSA-N |