4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-2365 |
| Compound Name: | 4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C19 H20 Br N3 O4 S |
| Smiles: | C(CN1CCOCC1)NC(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9459 |
| logD: | 3.9318 |
| logSw: | -4.188 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.193 |
| InChI Key: | PUPMQCJJQUVUSG-UHFFFAOYSA-N |