[(E)-[1-naphthalen-2-yl-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea
Formula:C21H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-naphthalen-2-yl-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea is a drug-like molecule.
| MolName | [(E)-[1-naphthalen-2-yl-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea |
| MolecularFormula | C21H17N3O3 |
| Smiles | NC(N/N=C(\CC(c1c2cccc1)OC2=O)/c1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C21H17N3O3/c22-21(26)24-23-18(15-10-9-13-5-1-2-6-14(13)11-15)12-19-16-7-3-4-8-17(16)20(25)27-19/h1-11,19H,12H2,(H3,22,24,26)/t19-/m1/s1 |
| InChIK | SVVJWYZMEVMHPO-LJQANCHMSA-N |
| TotalMolweight | 359.384 |
| Molweight | 359.384 |
| MonoisotopicMass | 359.126992 |
| CLogP | 3.2929 |
| CLogS | -6.131 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 268.83 |
| Relative PSA | 0.27646 |
| PolarSurfaceArea | 93.78 |
| Druglikeness | 3.2745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [(E)-[1-naphthalen-2-yl-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea | 2 - [(E)-[1-naphthalen-2-yl-2-(3-oxo-1H-2-benzofuran-1-yl)ethylidene]amino]urea
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