N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide
Formula:C17H14N4O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide |
| MolecularFormula | C17H14N4O4Cl2 |
| Smiles | O=C(CNC(Nc(cc1)cc(Cl)c1Cl)=O)N/N=C\c(cc1)cc2c1OCO2 |
| InChI | InChI=1S/C17H14Cl2N4O4/c18-12-3-2-11(6-13(12)19)22-17(25)20-8-16(24)23-21-7-10-1-4-14-15(5-10)27-9-26-14/h1-7H,8-9H2,(H,23,24)(H2,20,22,25) |
| InChIK | ZTYVUSMGJVAGDK-UHFFFAOYSA-N |
| TotalMolweight | 409.228 |
| Molweight | 409.228 |
| MonoisotopicMass | 408.03921 |
| CLogP | 3.6026 |
| CLogS | -6.187 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 292.52 |
| Relative PSA | 0.31441 |
| PolarSurfaceArea | 101.05 |
| Druglikeness | 5.4035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-[(3,4-dichlorophenyl)carbamoylamino]acetamide
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