2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C20H15N3O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H15N3O4Cl2 |
| Smiles | O=C(CNc(cc1)cc2c1OCO2)N/N=C\c1ccc(-c(ccc(Cl)c2)c2Cl)o1 |
| InChI | InChI=1S/C20H15Cl2N3O4/c21-12-1-4-15(16(22)7-12)17-6-3-14(29-17)9-24-25-20(26)10-23-13-2-5-18-19(8-13)28-11-27-18/h1-9,23H,10-11H2,(H,25,26) |
| InChIK | GRASNILUDKZJBU-UHFFFAOYSA-N |
| TotalMolweight | 432.262 |
| Molweight | 432.262 |
| MonoisotopicMass | 431.043961 |
| CLogP | 4.7558 |
| CLogS | -7.186 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 312.76 |
| Relative PSA | 0.26084 |
| PolarSurfaceArea | 85.09 |
| Druglikeness | 7.0011 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
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