4-[(4-bromophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-5402 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-[2-(dimethylamino)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 424.31 |
| Molecular Formula: | C17 H18 Br N3 O3 S |
| Smiles: | CN(C)CCNC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2094 |
| logD: | 3.3701 |
| logSw: | -4.3133 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.439 |
| InChI Key: | GNKZLDCSKLCKLX-UHFFFAOYSA-N |