[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea
Formula:C17H14N5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]thiourea |
| MolecularFormula | C17H14N5BrS |
| Smiles | NC(N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=S |
| InChI | InChI=1S/C17H14BrN5S/c18-14-8-6-12(7-9-14)16-13(10-20-21-17(19)24)11-23(22-16)15-4-2-1-3-5-15/h1-11H,(H3,19,21,24) |
| InChIK | YEPRCXGNJDVZIP-UHFFFAOYSA-N |
| TotalMolweight | 400.303 |
| Molweight | 400.303 |
| MonoisotopicMass | 399.015326 |
| CLogP | 3.1762 |
| CLogS | -5.245 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 276.82 |
| Relative PSA | 0.30374 |
| PolarSurfaceArea | 100.32 |
| Druglikeness | 2.254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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