(7E)-7-benzylidene-8-oxo-N,4,9-triphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxamide
Formula:C30H22N4O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-7-benzylidene-8-oxo-N,4,9-triphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxamide is not a drug-like molecule.
| MolName | (7E)-7-benzylidene-8-oxo-N,4,9-triphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxamide |
| MolecularFormula | C30H22N4O2S2 |
| Smiles | O=C(C(SC1(N(C2=O)c3ccccc3)S/C2=C/c2ccccc2)=NN1c1ccccc1)Nc1ccccc1 |
| InChI | InChI=1S/C30H22N4O2S2/c35-27(31-23-15-7-2-8-16-23)28-32-34(25-19-11-4-12-20-25)30(38-28)33(24-17-9-3-10-18-24)29(36)26(37-30)21-22-13-5-1-6-14-22/h1-21H,(H,31,35)/t30-/m0/s1 |
| InChIK | RAFBHJOHSZZTBF-PMERELPUSA-N |
| TotalMolweight | 534.663 |
| Molweight | 534.663 |
| MonoisotopicMass | 534.118416 |
| CLogP | 6.4816 |
| CLogS | -2.337 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 386.17 |
| Relative PSA | 0.23598 |
| PolarSurfaceArea | 115.61 |
| Druglikeness | 5.9528 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42105 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (7E)-7-benzylidene-8-oxo-N,4,9-triphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxamide | 2 - (7E)-7-benzylidene-8-oxo-N,4,9-triphenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-ene-2-carboxamide
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