N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
Formula:C15H13N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C15H13N3O4S |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H13N3O4S/c19-14(18-17-7-11-2-1-5-23-11)8-16-15(20)10-3-4-12-13(6-10)22-9-21-12/h1-7H,8-9H2,(H,16,20)(H,18,19) |
| InChIK | CJSCZKDIWBLJGA-UHFFFAOYSA-N |
| TotalMolweight | 331.351 |
| Molweight | 331.351 |
| MonoisotopicMass | 331.062677 |
| CLogP | 2.2633 |
| CLogS | -4.209 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 246.16 |
| Relative PSA | 0.40977 |
| PolarSurfaceArea | 117.26 |
| Druglikeness | 6.7658 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-oxo-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
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