4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3181 |
| Compound Name: | 4-[(2-{[2-(morpholin-4-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 512.51 |
| Molecular Formula: | C22 H23 F3 N4 O5 S |
| Smiles: | C(CN1CCOCC1)NC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7487 |
| logD: | 2.717 |
| logSw: | -3.5977 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.645 |
| InChI Key: | NDXYJJRLSDPTMJ-UHFFFAOYSA-N |