N-[(Z)-furan-2-ylmethylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
Formula:C23H20N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H20N4O3 |
| Smiles | O=C(c1cc(-c(cc2)ccc2OCCc2ccccc2)n[nH]1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C23H20N4O3/c28-23(27-24-16-20-7-4-13-29-20)22-15-21(25-26-22)18-8-10-19(11-9-18)30-14-12-17-5-2-1-3-6-17/h1-11,13,15-16H,12,14H2,(H,25,26)(H,27,28) |
| InChIK | BYSJDTDVXMACPT-UHFFFAOYSA-N |
| TotalMolweight | 400.437 |
| Molweight | 400.437 |
| MonoisotopicMass | 400.153541 |
| CLogP | 3.8663 |
| CLogS | -5.231 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 322.05 |
| Relative PSA | 0.26418 |
| PolarSurfaceArea | 92.51 |
| Druglikeness | 4.8145 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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