(1S,2S)-N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide
Formula:C25H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2S)-N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1S,2S)-N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C25H22N2O |
| Smiles | O=C([C@@H](C1)[C@H]1c1ccccc1)N/N=C(\C=C\c1ccccc1)/c1ccccc1 |
| InChI | InChI=1S/C25H22N2O/c28-25(23-18-22(23)20-12-6-2-7-13-20)27-26-24(21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-17,22-23H,18H2,(H,27,28)/t22-,23-/m0/s1 |
| InChIK | BYYTZKZABZPZDA-GOTSBHOMSA-N |
| TotalMolweight | 366.463 |
| Molweight | 366.463 |
| MonoisotopicMass | 366.173213 |
| CLogP | 5.5312 |
| CLogS | -6.2 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 296.72 |
| Relative PSA | 0.12136 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 4.5382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon | this enantiomer |
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1 - (1S,2S)-N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide | 2 - (1S,2S)-N-[(E)-[(E)-1,3-diphenylprop-2-enylidene]amino]-2-phenylcyclopropane-1-carboxamide
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