N-[(Z)-[(1R)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-4-phenylbutanamide
Formula:C20H20N2OCl2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
N-[(Z)-[(1R)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-4-phenylbutanamide is a drug-like molecule.
| MolName | N-[(Z)-[(1R)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-4-phenylbutanamide |
| MolecularFormula | C20H20N2OCl2 |
| Smiles | O=C(CCCc1ccccc1)N/N=C\[C@](C1)(C1(Cl)Cl)c1ccccc1 |
| InChI | InChI=1S/C20H20Cl2N2O/c21-20(22)14-19(20,17-11-5-2-6-12-17)15-23-24-18(25)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,15H,7,10,13-14H2,(H,24,25)/t19-/m0/s1 |
| InChIK | VSEJGNUXBJWTQA-IBGZPJMESA-N |
| TotalMolweight | 375.298 |
| Molweight | 375.298 |
| MonoisotopicMass | 374.095267 |
| CLogP | 4.7681 |
| CLogS | -5.736 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 280.19 |
| Relative PSA | 0.12852 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 0.46098 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| StereoCon | this enantiomer |
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1 - N-[(Z)-[(1R)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-4-phenylbutanamide | 2 - N-[(Z)-[(1R)-2,2-dichloro-1-phenylcyclopropyl]methylideneamino]-4-phenylbutanamide
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