(1S)-2,2-bis(4-chlorophenyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
Formula:C30H24N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1S)-2,2-bis(4-chlorophenyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1S)-2,2-bis(4-chlorophenyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C30H24N2O2Cl2 |
| Smiles | O=C([C@@H](C1)C1(c(cc1)ccc1Cl)c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C30H24Cl2N2O2/c31-25-12-8-23(9-13-25)30(24-10-14-26(32)15-11-24)18-28(30)29(35)34-33-19-21-6-16-27(17-7-21)36-20-22-4-2-1-3-5-22/h1-17,19,28H,18,20H2,(H,34,35)/t28-/m0/s1 |
| InChIK | NATICGGTFLMLSI-NDEPHWFRSA-N |
| TotalMolweight | 515.439 |
| Molweight | 515.439 |
| MonoisotopicMass | 514.121482 |
| CLogP | 7.3679 |
| CLogS | -7.515 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 384.28 |
| Relative PSA | 0.11973 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 5.3102 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 13 |
| StereoCon | this enantiomer |
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1 - (1S)-2,2-bis(4-chlorophenyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide | 2 - (1S)-2,2-bis(4-chlorophenyl)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
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