(E)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
Formula:C17H12N2OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C17H12N2OCl2S |
| Smiles | N#Cc1c(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)sc2c1CCC2 |
| InChI | InChI=1S/C17H12Cl2N2OS/c18-11-6-4-10(14(19)8-11)5-7-16(22)21-17-13(9-20)12-2-1-3-15(12)23-17/h4-8H,1-3H2,(H,21,22) |
| InChIK | TYXQGVSQEXNKQC-UHFFFAOYSA-N |
| TotalMolweight | 363.267 |
| Molweight | 363.267 |
| MonoisotopicMass | 362.004737 |
| CLogP | 5.0549 |
| CLogS | -6.725 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265 |
| Relative PSA | 0.22045 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -5.3186 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide | 2 - (E)-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(2,4-dichlorophenyl)prop-2-enamide
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