(E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
Formula:C20H19N2OFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C20H19N2OFS |
| Smiles | N#Cc1c(NC(/C=C/c(cc2)ccc2F)=O)sc2c1CCCCCC2 |
| InChI | InChI=1S/C20H19FN2OS/c21-15-10-7-14(8-11-15)9-12-19(24)23-20-17(13-22)16-5-3-1-2-4-6-18(16)25-20/h7-12H,1-6H2,(H,23,24) |
| InChIK | BXCRTTPJTAZNQT-UHFFFAOYSA-N |
| TotalMolweight | 354.448 |
| Molweight | 354.448 |
| MonoisotopicMass | 354.120211 |
| CLogP | 5.4883 |
| CLogS | -6.377 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 281.79 |
| Relative PSA | 0.20732 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -9.0518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide | 2 - (E)-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-3-(4-fluorophenyl)prop-2-enamide
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