cyclohexyl-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
Formula:C23H26N2OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
cyclohexyl-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is not a drug-like molecule.
| MolName | cyclohexyl-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone |
| MolecularFormula | C23H26N2OS2 |
| Smiles | O=C(C1CCCCC1)N(C(C1CCC2)c3cccs3)N=C1/C2=C\c1cccs1 |
| InChI | InChI=1S/C23H26N2OS2/c26-23(16-7-2-1-3-8-16)25-22(20-12-6-14-28-20)19-11-4-9-17(21(19)24-25)15-18-10-5-13-27-18/h5-6,10,12-16,19,22H,1-4,7-9,11H2 |
| InChIK | RERCCWDBYQQMRQ-UHFFFAOYSA-N |
| TotalMolweight | 410.604 |
| Molweight | 410.604 |
| MonoisotopicMass | 410.148653 |
| CLogP | 5.49 |
| CLogS | -5.748 |
| H Acceptors | 3 |
| TotalSurfaceArea | 307.71 |
| Relative PSA | 0.22365 |
| PolarSurfaceArea | 89.15 |
| Druglikeness | 0.62946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - cyclohexyl-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone | 2 - cyclohexyl-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
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