N-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C17H11N4OBrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H11N4OBrCl2 |
| Smiles | O=C(c1cc(-c(ccc(Cl)c2)c2Cl)n[nH]1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C17H11BrCl2N4O/c18-11-3-1-2-10(6-11)9-21-24-17(25)16-8-15(22-23-16)13-5-4-12(19)7-14(13)20/h1-9H,(H,22,23)(H,24,25) |
| InChIK | XVPHEVCFXLTVSS-UHFFFAOYSA-N |
| TotalMolweight | 438.111 |
| Molweight | 438.111 |
| MonoisotopicMass | 435.949326 |
| CLogP | 4.8366 |
| CLogS | -6.402 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 284.55 |
| Relative PSA | 0.21427 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-(3-bromophenyl)methylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
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