N-[(Z)-(3-bromophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
Formula:C15H11N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H11N4OBrS |
| Smiles | O=C(c1n[nH]c(-c2cccs2)c1)N/N=C\c1cccc(Br)c1 |
| InChI | InChI=1S/C15H11BrN4OS/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21) |
| InChIK | DGKTZMHMOGPVMB-UHFFFAOYSA-N |
| TotalMolweight | 375.249 |
| Molweight | 375.249 |
| MonoisotopicMass | 373.983692 |
| CLogP | 3.6481 |
| CLogS | -4.851 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.65 |
| Relative PSA | 0.32578 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 5.736 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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