(E)-3-(1H-imidazol-5-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
Formula:C17H17N4O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1H-imidazol-5-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1H-imidazol-5-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one |
| MolecularFormula | C17H17N4O3F3 |
| Smiles | O=C(/C=C/c1cnc[nH]1)N1CC(COc2ncc(C(F)(F)F)cc2)OCC1 |
| InChI | InChI=1S/C17H17F3N4O3/c18-17(19,20)12-1-3-15(22-7-12)27-10-14-9-24(5-6-26-14)16(25)4-2-13-8-21-11-23-13/h1-4,7-8,11,14H,5-6,9-10H2,(H,21,23)/t14-/m1/s1 |
| InChIK | GSTBXPIENWOOJU-CQSZACIVSA-N |
| TotalMolweight | 382.341 |
| Molweight | 382.341 |
| MonoisotopicMass | 382.125275 |
| CLogP | 1.4195 |
| CLogS | -2.371 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 278.16 |
| Relative PSA | 0.26071 |
| PolarSurfaceArea | 80.34 |
| Druglikeness | -3.3432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - (E)-3-(1H-imidazol-5-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-(1H-imidazol-5-yl)-1-[2-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]morpholin-4-yl]prop-2-en-1-one
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