4-(4-nitrophenyl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
Formula:C23H18N4O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-(4-nitrophenyl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is not a drug-like molecule.
| MolName | 4-(4-nitrophenyl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine |
| MolecularFormula | C23H18N4O3S |
| Smiles | [O-][N+](c(cc1)ccc1-c1csc(N/N=C/c2cc(OCc3ccccc3)ccc2)n1)=O |
| InChI | InChI=1S/C23H18N4O3S/c28-27(29)20-11-9-19(10-12-20)22-16-31-23(25-22)26-24-14-18-7-4-8-21(13-18)30-15-17-5-2-1-3-6-17/h1-14,16H,15H2,(H,25,26) |
| InChIK | LAJCVTZFNQXPLE-UHFFFAOYSA-N |
| TotalMolweight | 430.487 |
| Molweight | 430.487 |
| MonoisotopicMass | 430.109961 |
| CLogP | 6.4725 |
| CLogS | -6.461 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 330.89 |
| Relative PSA | 0.28626 |
| PolarSurfaceArea | 120.57 |
| Druglikeness | -1.6064 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-(4-nitrophenyl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine | 2 - 4-(4-nitrophenyl)-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
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