(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide
Formula:C24H15N5O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide |
| MolecularFormula | C24H15N5O2S |
| Smiles | N#C/C(/C(Nc1nccs1)=O)=C\c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C24H15N5O2S/c25-14-17(23(30)27-24-26-10-11-32-24)12-18-15-29(19-7-2-1-3-8-19)28-22(18)21-13-16-6-4-5-9-20(16)31-21/h1-13,15H,(H,26,27,30) |
| InChIK | YEGWNQLOFOAAFW-UHFFFAOYSA-N |
| TotalMolweight | 437.482 |
| Molweight | 437.482 |
| MonoisotopicMass | 437.094645 |
| CLogP | 4.0752 |
| CLogS | -5.867 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 335.12 |
| Relative PSA | 0.3024 |
| PolarSurfaceArea | 124.98 |
| Druglikeness | 1.0681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; limit! thiazol-2-ylamine |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide | 2 - (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide
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