(7E)-7-benzylidene-4,9-diphenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
Formula:C28H19N3O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-7-benzylidene-4,9-diphenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one is not a drug-like molecule.
| MolName | (7E)-7-benzylidene-4,9-diphenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one |
| MolecularFormula | C28H19N3O2S3 |
| Smiles | O=C(c1cccs1)C(SC1(N(C2=O)c3ccccc3)S/C2=C/c2ccccc2)=NN1c1ccccc1 |
| InChI | InChI=1S/C28H19N3O2S3/c32-25(23-17-10-18-34-23)26-29-31(22-15-8-3-9-16-22)28(36-26)30(21-13-6-2-7-14-21)27(33)24(35-28)19-20-11-4-1-5-12-20/h1-19H/t28-/m0/s1 |
| InChIK | YRMMLLUTXSICQN-NDEPHWFRSA-N |
| TotalMolweight | 525.676 |
| Molweight | 525.676 |
| MonoisotopicMass | 525.063937 |
| CLogP | 6.5157 |
| CLogS | -2.689 |
| H Acceptors | 5 |
| TotalSurfaceArea | 370.65 |
| Relative PSA | 0.26988 |
| PolarSurfaceArea | 131.82 |
| Druglikeness | 5.9502 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.38889 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (7E)-7-benzylidene-4,9-diphenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one | 2 - (7E)-7-benzylidene-4,9-diphenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
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