N-[(Z)-(3,5-dichloro-4-phenylmethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C23H15N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3,5-dichloro-4-phenylmethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3,5-dichloro-4-phenylmethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C23H15N3O4Cl2S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c(cc1Cl)cc(Cl)c1OCc1ccccc1)=O)c2)=O |
| InChI | InChI=1S/C23H15Cl2N3O4S/c24-18-8-15(9-19(25)22(18)32-13-14-4-2-1-3-5-14)12-26-27-23(29)21-11-16-10-17(28(30)31)6-7-20(16)33-21/h1-12H,13H2,(H,27,29) |
| InChIK | PMPUFIQLOWEQIX-UHFFFAOYSA-N |
| TotalMolweight | 500.361 |
| Molweight | 500.361 |
| MonoisotopicMass | 499.016031 |
| CLogP | 5.7613 |
| CLogS | -8.343 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 355.56 |
| Relative PSA | 0.27222 |
| PolarSurfaceArea | 124.75 |
| Druglikeness | 0.42735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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