(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylprop-2-enenitrile
Formula:C19H17N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylprop-2-enenitrile |
| MolecularFormula | C19H17N5OS |
| Smiles | N#C/C(/c(n1-c2ccccc2)nnc1N1CCOCC1)=C\c1cccs1 |
| InChI | InChI=1S/C19H17N5OS/c20-14-15(13-17-7-4-12-26-17)18-21-22-19(23-8-10-25-11-9-23)24(18)16-5-2-1-3-6-16/h1-7,12-13H,8-11H2 |
| InChIK | UOGILQFJUHPEEZ-UHFFFAOYSA-N |
| TotalMolweight | 363.444 |
| Molweight | 363.444 |
| MonoisotopicMass | 363.11538 |
| CLogP | 2.3595 |
| CLogS | -5.536 |
| H Acceptors | 6 |
| TotalSurfaceArea | 283.7 |
| Relative PSA | 0.26888 |
| PolarSurfaceArea | 95.21 |
| Druglikeness | 0.28986 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylprop-2-enenitrile | 2 - (E)-2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)-3-thiophen-2-ylprop-2-enenitrile
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