2,2-diphenyl-N-[(E)-thiophen-2-ylmethylideneamino]cyclopropane-1-carboxamide
Formula:C21H18N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,2-diphenyl-N-[(E)-thiophen-2-ylmethylideneamino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | 2,2-diphenyl-N-[(E)-thiophen-2-ylmethylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C21H18N2OS |
| Smiles | O=C(C(C1)C1(c1ccccc1)c1ccccc1)N/N=C/c1cccs1 |
| InChI | InChI=1S/C21H18N2OS/c24-20(23-22-15-18-12-7-13-25-18)19-14-21(19,16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,19H,14H2,(H,23,24)/t19-/m1/s1 |
| InChIK | AWKPJNRMECEBNV-LJQANCHMSA-N |
| TotalMolweight | 346.453 |
| Molweight | 346.453 |
| MonoisotopicMass | 346.113983 |
| CLogP | 4.6744 |
| CLogS | -4.712 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.86 |
| Relative PSA | 0.21203 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 7.0731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon | racemate |
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