(E)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide
Formula:C17H14N6O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-(furan-3-yl)prop-2-enamide |
| MolecularFormula | C17H14N6O2 |
| Smiles | O=C(/C=C/c1cocc1)Nc1cn(Cn2nnc3c2cccc3)nc1 |
| InChI | InChI=1S/C17H14N6O2/c24-17(6-5-13-7-8-25-11-13)19-14-9-18-22(10-14)12-23-16-4-2-1-3-15(16)20-21-23/h1-11H,12H2,(H,19,24) |
| InChIK | OKDBWTVFIBWJTJ-UHFFFAOYSA-N |
| TotalMolweight | 334.338 |
| Molweight | 334.338 |
| MonoisotopicMass | 334.117824 |
| CLogP | 1.8022 |
| CLogS | -3.601 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 261.22 |
| Relative PSA | 0.32639 |
| PolarSurfaceArea | 90.77 |
| Druglikeness | -1.0685 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | methanediamine |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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