N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
Formula:C23H15N5O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C23H15N5O3S |
| Smiles | [O-][N+](c1cccc(-c2ccc(/C=N\Nc3c(c(-c4ccccc4)cs4)c4ncn3)o2)c1)=O |
| InChI | InChI=1S/C23H15N5O3S/c29-28(30)17-8-4-7-16(11-17)20-10-9-18(31-20)12-26-27-22-21-19(15-5-2-1-3-6-15)13-32-23(21)25-14-24-22/h1-14H,(H,24,25,27) |
| InChIK | FNRUVQPSEKXRTD-UHFFFAOYSA-N |
| TotalMolweight | 441.47 |
| Molweight | 441.47 |
| MonoisotopicMass | 441.08956 |
| CLogP | 6.341 |
| CLogS | -8.642 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 330.18 |
| Relative PSA | 0.33255 |
| PolarSurfaceArea | 137.37 |
| Druglikeness | -0.33379 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine | 2 - N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off