[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]thiourea
Formula:C18H15N5OF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-[4-(difluoromethoxy)phenyl]-1-phenylpyrazol-4-yl]methylideneamino]thiourea |
| MolecularFormula | C18H15N5OF2S |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OC(F)F)=S |
| InChI | InChI=1S/C18H15F2N5OS/c19-17(20)26-15-8-6-12(7-9-15)16-13(10-22-23-18(21)27)11-25(24-16)14-4-2-1-3-5-14/h1-11,17H,(H3,21,23,27) |
| InChIK | YTMTUIZQSLDMQN-UHFFFAOYSA-N |
| TotalMolweight | 387.413 |
| Molweight | 387.413 |
| MonoisotopicMass | 387.096536 |
| CLogP | 2.6204 |
| CLogS | -5.033 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 293.39 |
| Relative PSA | 0.32067 |
| PolarSurfaceArea | 109.55 |
| Druglikeness | 1.105 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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