(7E)-2-benzoyl-7-benzylidene-4-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
Formula:C24H17N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-2-benzoyl-7-benzylidene-4-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one is a drug-like molecule.
| MolName | (7E)-2-benzoyl-7-benzylidene-4-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one |
| MolecularFormula | C24H17N3O2S2 |
| Smiles | O=C(C(SC1(NC2=O)S/C2=C/c2ccccc2)=NN1c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C24H17N3O2S2/c28-21(18-12-6-2-7-13-18)23-26-27(19-14-8-3-9-15-19)24(31-23)25-22(29)20(30-24)16-17-10-4-1-5-11-17/h1-16H,(H,25,29)/t24-/m0/s1 |
| InChIK | OHJVQENSWHQDBA-DEOSSOPVSA-N |
| TotalMolweight | 443.55 |
| Molweight | 443.55 |
| MonoisotopicMass | 443.076217 |
| CLogP | 4.901 |
| CLogS | -1.196 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 316.11 |
| Relative PSA | 0.27706 |
| PolarSurfaceArea | 112.37 |
| Druglikeness | 5.3179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (7E)-2-benzoyl-7-benzylidene-4-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one | 2 - (7E)-2-benzoyl-7-benzylidene-4-phenyl-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
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