N-[(E)-(3-bromophenyl)methylideneamino]-5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxamide
Formula:C15H10N4OBr2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(3-bromophenyl)methylideneamino]-5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-(3-bromophenyl)methylideneamino]-5-(5-bromothiophen-2-yl)-1H-pyrazole-3-carboxamide |
| MolecularFormula | C15H10N4OBr2S |
| Smiles | O=C(c1n[nH]c(-c(s2)ccc2Br)c1)N/N=C/c1cccc(Br)c1 |
| InChI | InChI=1S/C15H10Br2N4OS/c16-10-3-1-2-9(6-10)8-18-21-15(22)12-7-11(19-20-12)13-4-5-14(17)23-13/h1-8H,(H,19,20)(H,21,22) |
| InChIK | CKZFZOYVPKVHEG-UHFFFAOYSA-N |
| TotalMolweight | 454.145 |
| Molweight | 454.145 |
| MonoisotopicMass | 451.894203 |
| CLogP | 4.578 |
| CLogS | -5.702 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.28 |
| Relative PSA | 0.30315 |
| PolarSurfaceArea | 98.38 |
| Druglikeness | 3.6446 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| 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 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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