2-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]-2-(triphenyl-lambda5-phosphanylidene)acetonitrile
Formula:C30H21N2OPS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]-2-(triphenyl-lambda5-phosphanylidene)acetonitrile is not a drug-like molecule.
| MolName | 2-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]-2-(triphenyl-lambda5-phosphanylidene)acetonitrile |
| MolecularFormula | C30H21N2OPS |
| Smiles | N#CC(C(S/C1=C\c2ccccc2)=NC1=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C30H21N2OPS/c31-22-27(30-32-29(33)28(35-30)21-23-13-5-1-6-14-23)34(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-21H |
| InChIK | FKWMCTBTXMIIGW-UHFFFAOYSA-N |
| TotalMolweight | 488.55 |
| Molweight | 488.55 |
| MonoisotopicMass | 488.11122 |
| CLogP | 5.8488 |
| CLogS | -7.124 |
| H Acceptors | 3 |
| TotalSurfaceArea | 372.61 |
| Relative PSA | 0.1599 |
| PolarSurfaceArea | 88.33 |
| Druglikeness | -11.12 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.4 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| StereoCon |
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1 - 2-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]-2-(triphenyl-lambda5-phosphanylidene)acetonitrile | 2 - 2-[(5Z)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]-2-(triphenyl-lambda5-phosphanylidene)acetonitrile
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