N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C15H10N4OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C15H10N4OBrClS |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C15H10BrClN4OS/c16-14-6-5-11(23-14)8-18-21-15(22)13-7-12(19-20-13)9-1-3-10(17)4-2-9/h1-8H,(H,19,20)(H,21,22) |
| InChIK | OSCSMXKFHHUVJQ-UHFFFAOYSA-N |
| TotalMolweight | 409.694 |
| Molweight | 409.694 |
| MonoisotopicMass | 407.944719 |
| CLogP | 4.3019 |
| CLogS | -5.693 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.07 |
| Relative PSA | 0.30682 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 3.2115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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