(3Z)-4-hydroxy-3-[(2R*,3R*,4R*)-3-nitro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]pent-3-en-2-one
Chemical Structure Depiction of
(3Z)-4-hydroxy-3-[(2R*,3R*,4R*)-3-nitro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]pent-3-en-2-one
(3Z)-4-hydroxy-3-[(2R*,3R*,4R*)-3-nitro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]pent-3-en-2-one
Compound characteristics
| Compound ID: | 8018-8168 |
| Compound Name: | (3Z)-4-hydroxy-3-[(2R*,3R*,4R*)-3-nitro-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]pent-3-en-2-one |
| Molecular Weight: | 345.27 |
| Molecular Formula: | C15 H14 F3 N O5 |
| Smiles: | C/C(=C(C(C)=O)\[C@@H]1c2ccccc2O[C@@H]([C@H]1[N+]([O-])=O)C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1161 |
| logD: | 1.8888 |
| logSw: | -2.516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.498 |
| InChI Key: | OHPUZUJQIHXLGR-YADFJFBMSA-N |