(E)-3-phenyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)prop-2-enamide
Formula:C20H17N3OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-phenyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-phenyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)prop-2-enamide |
| MolecularFormula | C20H17N3OS |
| Smiles | O=C(/C=C/c1ccccc1)Nc1c(CSC2)c2nn1-c1ccccc1 |
| InChI | InChI=1S/C20H17N3OS/c24-19(12-11-15-7-3-1-4-8-15)21-20-17-13-25-14-18(17)22-23(20)16-9-5-2-6-10-16/h1-12H,13-14H2,(H,21,24) |
| InChIK | NCLVWVOGSNTVJJ-UHFFFAOYSA-N |
| TotalMolweight | 347.441 |
| Molweight | 347.441 |
| MonoisotopicMass | 347.109232 |
| CLogP | 3.5318 |
| CLogS | -5.369 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 267.96 |
| Relative PSA | 0.22328 |
| PolarSurfaceArea | 72.22 |
| Druglikeness | 2.93 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - (E)-3-phenyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)prop-2-enamide | 2 - (E)-3-phenyl-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)prop-2-enamide
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