2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
Formula:C25H20N4O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C25H20N4O3Cl2 |
| Smiles | O=C(CNc(cc1)cc2c1OCO2)N/N=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C25H20Cl2N4O3/c26-18-6-5-16(21(27)9-18)13-31-14-17(20-3-1-2-4-22(20)31)11-29-30-25(32)12-28-19-7-8-23-24(10-19)34-15-33-23/h1-11,14,28H,12-13,15H2,(H,30,32) |
| InChIK | QKQBLVBNYJFRBT-UHFFFAOYSA-N |
| TotalMolweight | 495.365 |
| Molweight | 495.365 |
| MonoisotopicMass | 494.091245 |
| CLogP | 5.3466 |
| CLogS | -6.704 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 360.63 |
| Relative PSA | 0.20614 |
| PolarSurfaceArea | 76.88 |
| Druglikeness | 6.3063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-ylamino)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
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