4-[(4-bromophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K672-0327 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N,N-diethyl-3-nitrobenzamide |
| Molecular Weight: | 409.3 |
| Molecular Formula: | C17 H17 Br N2 O3 S |
| Smiles: | CCN(CC)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8553 |
| logD: | 4.8553 |
| logSw: | -4.756 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.979 |
| InChI Key: | CWSMDAYPMBPZRO-UHFFFAOYSA-N |