2-cyano-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide
Formula:C24H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-cyano-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide |
| MolecularFormula | C24H18N4O |
| Smiles | N#CCC(N/N=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1)=O |
| InChI | InChI=1S/C24H18N4O/c25-16-15-23(29)27-26-17-21-20-13-7-8-14-22(20)28(19-11-5-2-6-12-19)24(21)18-9-3-1-4-10-18/h1-14,17H,15H2,(H,27,29) |
| InChIK | JLXVUTBNPFOAPG-UHFFFAOYSA-N |
| TotalMolweight | 378.434 |
| Molweight | 378.434 |
| MonoisotopicMass | 378.148061 |
| CLogP | 4.7098 |
| CLogS | -8.561 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.02 |
| Relative PSA | 0.18443 |
| PolarSurfaceArea | 70.18 |
| Druglikeness | -1.8364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-cyano-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide | 2 - 2-cyano-N-[(Z)-(1,2-diphenylindol-3-yl)methylideneamino]acetamide
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