4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoate
Formula:C24H24N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoate is a drug-like molecule.
| MolName | 4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoate |
| MolecularFormula | C24H24N3O3 |
| Smiles | [O-]C(c(cc1)ccc1N/N=C\C(CC/C1=C/c2ccccc2)=C1N1CCOCC1)=O |
| InChI | InChI=1S/C24H25N3O3/c28-24(29)19-8-10-22(11-9-19)26-25-17-21-7-6-20(16-18-4-2-1-3-5-18)23(21)27-12-14-30-15-13-27/h1-5,8-11,16-17,26H,6-7,12-15H2,(H,28,29)/p-1 |
| InChIK | JKGHEBZJPBMGTF-UHFFFAOYSA-M |
| TotalMolweight | 402.473 |
| Molweight | 402.473 |
| MonoisotopicMass | 402.181767 |
| CLogP | 2.8295 |
| CLogS | -3.728 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 318.01 |
| Relative PSA | 0.20075 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.1782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoate | 2 - 4-[(2Z)-2-[[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methylidene]hydrazinyl]benzoate
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