[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
Formula:C34H33N2O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
[2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate is not a drug-like molecule.
| MolName | [2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate |
| MolecularFormula | C34H33N2O3F |
| Smiles | O=C(COC(C1(CCCC1)c1cccc(F)c1)=O)N(C(C1CCC2)c3ccccc3)N=C1/C2=C\c1ccccc1 |
| InChI | InChI=1S/C34H33FN2O3/c35-28-17-10-16-27(22-28)34(19-7-8-20-34)33(39)40-23-30(38)37-32(25-13-5-2-6-14-25)29-18-9-15-26(31(29)36-37)21-24-11-3-1-4-12-24/h1-6,10-14,16-17,21-22,29,32H,7-9,15,18-20,23H2 |
| InChIK | SZZYROKIEHGASW-UHFFFAOYSA-N |
| TotalMolweight | 536.645 |
| Molweight | 536.645 |
| MonoisotopicMass | 536.247521 |
| CLogP | 6.3206 |
| CLogS | -7.037 |
| H Acceptors | 5 |
| TotalSurfaceArea | 407.6 |
| Relative PSA | 0.12547 |
| PolarSurfaceArea | 58.97 |
| Druglikeness | 0.89477 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.45 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - [2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate | 2 - [2-[(7Z)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
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