(2E)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Formula:C30H18N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(2E)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile is not a drug-like molecule.
| MolName | (2E)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
| MolecularFormula | C30H18N4OS |
| Smiles | NC(N(C(/C(/S1)=C\c2cccc3ccccc23)=O)C1=C(C1c2cccc3ccccc23)C#N)=C1C#N |
| InChI | InChI=1S/C30H18N4OS/c31-16-24-27(23-14-6-10-19-8-2-4-13-22(19)23)25(17-32)30-34(28(24)33)29(35)26(36-30)15-20-11-5-9-18-7-1-3-12-21(18)20/h1-15,27H,33H2/t27-/m0/s1 |
| InChIK | HUXYJFFHJKHUAA-MHZLTWQESA-N |
| TotalMolweight | 482.566 |
| Molweight | 482.566 |
| MonoisotopicMass | 482.120131 |
| CLogP | 6.0918 |
| CLogS | -9.888 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 355.75 |
| Relative PSA | 0.21495 |
| PolarSurfaceArea | 119.21 |
| Druglikeness | -0.42776 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2E)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile | 2 - (2E)-5-amino-7-naphthalen-1-yl-2-(naphthalen-1-ylmethylidene)-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
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