(E)-2-cyano-N-cyclohexyl-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide
Formula:C32H30N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-cyclohexyl-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-N-cyclohexyl-3-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enamide |
| MolecularFormula | C32H30N4O2 |
| Smiles | N#C/C(/C(NC1CCCCC1)=O)=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C32H30N4O2/c33-21-26(32(37)34-28-12-6-2-7-13-28)20-27-22-36(29-14-8-3-9-15-29)35-31(27)25-16-18-30(19-17-25)38-23-24-10-4-1-5-11-24/h1,3-5,8-11,14-20,22,28H,2,6-7,12-13,23H2,(H,34,37) |
| InChIK | IMXUBXAGMOXSAO-UHFFFAOYSA-N |
| TotalMolweight | 502.616 |
| Molweight | 502.616 |
| MonoisotopicMass | 502.236876 |
| CLogP | 5.1024 |
| CLogS | -6.691 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 407.69 |
| Relative PSA | 0.16164 |
| PolarSurfaceArea | 79.94 |
| Druglikeness | -3.9883 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 8 |
| Symmetricatoms | 8 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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