N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
Formula:C19H14N3O4ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide |
| MolecularFormula | C19H14N3O4ClS |
| Smiles | O=C(CNC(c(sc1c2cccc1)c2Cl)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C19H14ClN3O4S/c20-17-12-3-1-2-4-15(12)28-18(17)19(25)21-9-16(24)23-22-8-11-5-6-13-14(7-11)27-10-26-13/h1-8H,9-10H2,(H,21,25)(H,23,24) |
| InChIK | LATMIKBHPJFWMA-UHFFFAOYSA-N |
| TotalMolweight | 415.856 |
| Molweight | 415.856 |
| MonoisotopicMass | 415.039354 |
| CLogP | 3.9239 |
| CLogS | -6.284 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 296.18 |
| Relative PSA | 0.34057 |
| PolarSurfaceArea | 117.26 |
| Druglikeness | 6.4423 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; 3-halo-enone |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide | 2 - N-[2-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide
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