(5Z)-3-[(Z)-benzylideneamino]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one
Formula:C21H15N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[(Z)-benzylideneamino]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one is a drug-like molecule.
| MolName | (5Z)-3-[(Z)-benzylideneamino]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one |
| MolecularFormula | C21H15N3OS |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2cccs2)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C21H15N3OS/c25-21-19(14-18-12-7-13-26-18)23-20(17-10-5-2-6-11-17)24(21)22-15-16-8-3-1-4-9-16/h1-15H |
| InChIK | IAJNSGDXJYWYQS-UHFFFAOYSA-N |
| TotalMolweight | 357.436 |
| Molweight | 357.436 |
| MonoisotopicMass | 357.093582 |
| CLogP | 4.2259 |
| CLogS | -5.388 |
| H Acceptors | 4 |
| TotalSurfaceArea | 275.71 |
| Relative PSA | 0.21751 |
| PolarSurfaceArea | 73.27 |
| Druglikeness | 6.2652 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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