(7E)-7-benzylidene-4-(4-chlorophenyl)-9-phenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
Formula:C28H18N3O2ClS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7E)-7-benzylidene-4-(4-chlorophenyl)-9-phenyl-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-(4-chlorophenyl)-9-phenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one |
| MolecularFormula | C28H18N3O2ClS3 |
| Smiles | O=C(c1cccs1)C(SC1(N(C2=O)c3ccccc3)S/C2=C/c2ccccc2)=NN1c(cc1)ccc1Cl |
| InChI | InChI=1S/C28H18ClN3O2S3/c29-20-13-15-22(16-14-20)32-28(37-26(30-32)25(33)23-12-7-17-35-23)31(21-10-5-2-6-11-21)27(34)24(36-28)18-19-8-3-1-4-9-19/h1-18H/t28-/m0/s1 |
| InChIK | RHQPFAKFDYEGIZ-NDEPHWFRSA-N |
| TotalMolweight | 560.121 |
| Molweight | 560.121 |
| MonoisotopicMass | 559.024964 |
| CLogP | 7.1217 |
| CLogS | -3.425 |
| H Acceptors | 5 |
| TotalSurfaceArea | 386.07 |
| Relative PSA | 0.2591 |
| PolarSurfaceArea | 131.82 |
| Druglikeness | 5.9871 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.37838 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-(4-chlorophenyl)-9-phenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one | 2 - (7E)-7-benzylidene-4-(4-chlorophenyl)-9-phenyl-2-(thiophene-2-carbonyl)-1,6-dithia-3,4,9-triazaspiro[4.4]non-2-en-8-one
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