N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
Formula:C24H18N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C24H18N4O5S |
| Smiles | [O-][N+](c(cc1)cc2c1sc(C(N/N=C\c(cc1)ccc1OCC(Nc1ccccc1)=O)=O)c2)=O |
| InChI | InChI=1S/C24H18N4O5S/c29-23(26-18-4-2-1-3-5-18)15-33-20-9-6-16(7-10-20)14-25-27-24(30)22-13-17-12-19(28(31)32)8-11-21(17)34-22/h1-14H,15H2,(H,26,29)(H,27,30) |
| InChIK | ZEQCEIOILVIDCF-UHFFFAOYSA-N |
| TotalMolweight | 474.496 |
| Molweight | 474.496 |
| MonoisotopicMass | 474.099791 |
| CLogP | 3.9236 |
| CLogS | -6.822 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 353.93 |
| Relative PSA | 0.34269 |
| PolarSurfaceArea | 153.85 |
| Druglikeness | 0.99571 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67647 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide | 2 - N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
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