(7Z)-2-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
Formula:C25H17N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(7Z)-2-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile is not a drug-like molecule.
| MolName | (7Z)-2-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile |
| MolecularFormula | C25H17N2O2ClS |
| Smiles | N#Cc(c(SCc(cc1)ccc1Cl)nc1c2CC/C1=C/c1ccco1)c2-c1ccco1 |
| InChI | InChI=1S/C25H17ClN2O2S/c26-18-8-5-16(6-9-18)15-31-25-21(14-27)23(22-4-2-12-30-22)20-10-7-17(24(20)28-25)13-19-3-1-11-29-19/h1-6,8-9,11-13H,7,10,15H2 |
| InChIK | DLWZBEVNZKGYDE-UHFFFAOYSA-N |
| TotalMolweight | 444.941 |
| Molweight | 444.941 |
| MonoisotopicMass | 444.069925 |
| CLogP | 5.5983 |
| CLogS | -7.848 |
| H Acceptors | 4 |
| TotalSurfaceArea | 337.79 |
| Relative PSA | 0.20794 |
| PolarSurfaceArea | 88.26 |
| Druglikeness | -5.1215 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (7Z)-2-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile | 2 - (7Z)-2-[(4-chlorophenyl)methylsulfanyl]-4-(furan-2-yl)-7-(furan-2-ylmethylidene)-5,6-dihydrocyclopenta[b]pyridine-3-carbonitrile
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