[(Z)-[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylideneamino]thiourea
Formula:C23H19N5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[4-(3,5-diphenylpyrazol-1-yl)phenyl]methylideneamino]thiourea |
| MolecularFormula | C23H19N5S |
| Smiles | NC(N/N=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1)=S |
| InChI | InChI=1S/C23H19N5S/c24-23(29)26-25-16-17-11-13-20(14-12-17)28-22(19-9-5-2-6-10-19)15-21(27-28)18-7-3-1-4-8-18/h1-16H,(H3,24,26,29) |
| InChIK | YDNZFNCHBKIXRX-UHFFFAOYSA-N |
| TotalMolweight | 397.505 |
| Molweight | 397.505 |
| MonoisotopicMass | 397.136115 |
| CLogP | 4.2012 |
| CLogS | -6.189 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 317.95 |
| Relative PSA | 0.26444 |
| PolarSurfaceArea | 100.32 |
| Druglikeness | 4.3515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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