(E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
Formula:C26H19N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C26H19N4O3Cl |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C\C(C(N(C=CC=C1)C1=N1)=O)=C1Oc(cc1)ccc1Cl |
| InChI | InChI=1S/C26H19ClN4O3/c27-20-9-11-21(12-10-20)34-25-22(26(33)31-15-5-4-8-23(31)30-25)16-19(17-28)24(32)29-14-13-18-6-2-1-3-7-18/h1-12,15-16H,13-14H2,(H,29,32) |
| InChIK | BWHUCKVLYIJFAX-UHFFFAOYSA-N |
| TotalMolweight | 470.915 |
| Molweight | 470.915 |
| MonoisotopicMass | 470.114568 |
| CLogP | 3.5932 |
| CLogS | -6.213 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 361.53 |
| Relative PSA | 0.21066 |
| PolarSurfaceArea | 94.79 |
| Druglikeness | 0.34662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide | 2 - (E)-3-[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
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