2-(3-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
Formula:C19H15N2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(3-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole is not a drug-like molecule.
| MolName | 2-(3-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole |
| MolecularFormula | C19H15N2BrS2 |
| Smiles | Brc1cc(N(C(C2)c3cccs3)N=C2/C=C/c2cccs2)ccc1 |
| InChI | InChI=1S/C19H15BrN2S2/c20-14-4-1-5-16(12-14)22-18(19-7-3-11-24-19)13-15(21-22)8-9-17-6-2-10-23-17/h1-12,18H,13H2/t18-/m0/s1 |
| InChIK | YDBNCYSTLUMTID-SFHVURJKSA-N |
| TotalMolweight | 415.378 |
| Molweight | 415.378 |
| MonoisotopicMass | 413.985999 |
| CLogP | 6.1304 |
| CLogS | -5.549 |
| H Acceptors | 2 |
| TotalSurfaceArea | 275.82 |
| Relative PSA | 0.20223 |
| PolarSurfaceArea | 72.08 |
| Druglikeness | 2.8055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| StereoCon | racemate |
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1 - 2-(3-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole | 2 - 2-(3-bromophenyl)-3-thiophen-2-yl-5-[(E)-2-thiophen-2-ylethenyl]-3,4-dihydropyrazole
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