2,4-dioxo-N-[(Z)-(2-phenylindolizin-3-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
Formula:C20H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,4-dioxo-N-[(Z)-(2-phenylindolizin-3-yl)methylideneamino]-1H-pyrimidine-6-carboxamide is a drug-like molecule.
| MolName | 2,4-dioxo-N-[(Z)-(2-phenylindolizin-3-yl)methylideneamino]-1H-pyrimidine-6-carboxamide |
| MolecularFormula | C20H15N5O3 |
| Smiles | O=C(C(NC(N1)=O)=CC1=O)N/N=C\c(n(cccc1)c1c1)c1-c1ccccc1 |
| InChI | InChI=1S/C20H15N5O3/c26-18-11-16(22-20(28)23-18)19(27)24-21-12-17-15(13-6-2-1-3-7-13)10-14-8-4-5-9-25(14)17/h1-12H,(H,24,27)(H2,22,23,26,28) |
| InChIK | VJCJZXRHAMMZBH-UHFFFAOYSA-N |
| TotalMolweight | 373.371 |
| Molweight | 373.371 |
| MonoisotopicMass | 373.11749 |
| CLogP | 1.7822 |
| CLogS | -6.416 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 281.87 |
| Relative PSA | 0.3298 |
| PolarSurfaceArea | 104.07 |
| Druglikeness | 5.6786 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,4-dioxo-N-[(Z)-(2-phenylindolizin-3-yl)methylideneamino]-1H-pyrimidine-6-carboxamide | 2 - 2,4-dioxo-N-[(Z)-(2-phenylindolizin-3-yl)methylideneamino]-1H-pyrimidine-6-carboxamide
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