N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C16H15N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is not a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C16H15N5O6 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCCO2)=O)N/N=C\C(NC(N1)=O)=CC1=O |
| InChI | InChI=1S/C16H15N5O6/c22-13-6-10(19-16(25)20-13)7-18-21-14(23)8-17-15(24)9-1-2-11-12(5-9)27-4-3-26-11/h1-2,5-7H,3-4,8H2,(H,17,24)(H,21,23)(H2,19,20,22,25) |
| InChIK | AZTUAOKXYZEUOB-UHFFFAOYSA-N |
| TotalMolweight | 373.324 |
| Molweight | 373.324 |
| MonoisotopicMass | 373.102235 |
| CLogP | -0.8399 |
| CLogS | -2.946 |
| H Acceptors | 11 |
| H Donors | 4 |
| TotalSurfaceArea | 273.85 |
| Relative PSA | 0.47292 |
| PolarSurfaceArea | 147.22 |
| Druglikeness | -2.3532 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[2-[(2Z)-2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off