(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(2-phenylethyl)prop-2-enamide
Formula:C33H26N4O
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(2-phenylethyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C33H26N4O |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C\c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1 |
| InChI | InChI=1S/C33H26N4O/c34-24-29(33(38)35-21-20-25-10-4-1-5-11-25)22-26-16-18-30(19-17-26)37-32(28-14-8-3-9-15-28)23-31(36-37)27-12-6-2-7-13-27/h1-19,22-23H,20-21H2,(H,35,38) |
| InChIK | MXBVUEZFMIIOBL-UHFFFAOYSA-N |
| TotalMolweight | 494.596 |
| Molweight | 494.596 |
| MonoisotopicMass | 494.210661 |
| CLogP | 5.797 |
| CLogS | -6.989 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 403.41 |
| Relative PSA | 0.13857 |
| PolarSurfaceArea | 70.71 |
| Druglikeness | 0.87044 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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