N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1H-indole-3-carboxamide
Formula:C20H14N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1H-indole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1H-indole-3-carboxamide |
| MolecularFormula | C20H14N6O3S |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1c[nH]c2c1cccc2)=O)cc1)c1Sc1ncccn1)=O |
| InChI | InChI=1S/C20H14N6O3S/c27-19(15-12-23-16-5-2-1-4-14(15)16)25-24-11-13-6-7-18(17(10-13)26(28)29)30-20-21-8-3-9-22-20/h1-12,23H,(H,25,27) |
| InChIK | OGEQKIOIGBRUKT-UHFFFAOYSA-N |
| TotalMolweight | 418.436 |
| Molweight | 418.436 |
| MonoisotopicMass | 418.084809 |
| CLogP | 2.8194 |
| CLogS | -5.257 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 309.6 |
| Relative PSA | 0.38711 |
| PolarSurfaceArea | 154.15 |
| Druglikeness | 0.54973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1H-indole-3-carboxamide | 2 - N-[(Z)-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)methylideneamino]-1H-indole-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off