(1Z)-5-amino-3-oxo-7-(4-phenylphenyl)-1-[(4-phenylphenyl)methylidene]-7H-[1,3]thiazolo[3,4-a]pyridine-6,8-dicarbonitrile
Formula:C34H22N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-5-amino-3-oxo-7-(4-phenylphenyl)-1-[(4-phenylphenyl)methylidene]-7H-[1,3]thiazolo[3,4-a]pyridine-6,8-dicarbonitrile is not a drug-like molecule.
| MolName | (1Z)-5-amino-3-oxo-7-(4-phenylphenyl)-1-[(4-phenylphenyl)methylidene]-7H-[1,3]thiazolo[3,4-a]pyridine-6,8-dicarbonitrile |
| MolecularFormula | C34H22N4OS |
| Smiles | NC(N(C(/C(/S1)=C/c(cc2)ccc2-c2ccccc2)=C(C2c(cc3)ccc3-c3ccccc3)C#N)C1=O)=C2C#N |
| InChI | InChI=1S/C34H22N4OS/c35-20-28-31(27-17-15-26(16-18-27)24-9-5-2-6-10-24)29(21-36)33(37)38-32(28)30(40-34(38)39)19-22-11-13-25(14-12-22)23-7-3-1-4-8-23/h1-19,31H,37H2/t31-/m1/s1 |
| InChIK | QZTVGNJOTZNUQS-WJOKGBTCSA-N |
| TotalMolweight | 534.642 |
| Molweight | 534.642 |
| MonoisotopicMass | 534.151431 |
| CLogP | 7.2163 |
| CLogS | -11.181 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 406.07 |
| Relative PSA | 0.18832 |
| PolarSurfaceArea | 119.21 |
| Druglikeness | -0.96877 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.525 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (1Z)-5-amino-3-oxo-7-(4-phenylphenyl)-1-[(4-phenylphenyl)methylidene]-7H-[1,3]thiazolo[3,4-a]pyridine-6,8-dicarbonitrile | 2 - (1Z)-5-amino-3-oxo-7-(4-phenylphenyl)-1-[(4-phenylphenyl)methylidene]-7H-[1,3]thiazolo[3,4-a]pyridine-6,8-dicarbonitrile
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