(Z)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
Formula:C34H26N4O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C34H26N4O3S |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\N(C(c(cc2)ccc2-c2ccccc2)=CS2)/C2=N/CCc2ccccc2)o1)=O |
| InChI | InChI=1S/C34H26N4O3S/c39-38(40)30-17-15-29(16-18-30)33-20-19-31(41-33)23-36-37-32(24-42-34(37)35-22-21-25-7-3-1-4-8-25)28-13-11-27(12-14-28)26-9-5-2-6-10-26/h1-20,23-24H,21-22H2 |
| InChIK | NXMVGMMWDWIUAP-UHFFFAOYSA-N |
| TotalMolweight | 570.671 |
| Molweight | 570.671 |
| MonoisotopicMass | 570.172561 |
| CLogP | 7.3508 |
| CLogS | -9.913 |
| H Acceptors | 7 |
| TotalSurfaceArea | 439.91 |
| Relative PSA | 0.20138 |
| PolarSurfaceArea | 112.22 |
| Druglikeness | 1.8129 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (Z)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-N-(2-phenylethyl)-4-(4-phenylphenyl)-1,3-thiazol-2-imine
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