(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
Formula:C22H22N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide |
| MolecularFormula | C22H22N2O3 |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C/c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C22H22N2O3/c23-14-19(22(25)24-15-21-10-5-11-26-21)12-18-8-4-9-20(13-18)27-16-17-6-2-1-3-7-17/h1-4,6-9,12-13,21H,5,10-11,15-16H2,(H,24,25)/t21-/m1/s1 |
| InChIK | GGCUGJNJQBIIMV-OAQYLSRUSA-N |
| TotalMolweight | 362.428 |
| Molweight | 362.428 |
| MonoisotopicMass | 362.163043 |
| CLogP | 2.9275 |
| CLogS | -4.289 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.45 |
| Relative PSA | 0.19585 |
| PolarSurfaceArea | 71.35 |
| Druglikeness | -2.5778 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide | 2 - (Z)-2-cyano-N-(oxolan-2-ylmethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off