2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
Formula:C21H21N7Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C21H21N7Cl2 |
| Smiles | Clc(cccc1/C=N\Nc2nc(N3CCCCC3)nc(Nc3ccccc3)n2)c1Cl |
| InChI | InChI=1S/C21H21Cl2N7/c22-17-11-7-8-15(18(17)23)14-24-29-20-26-19(25-16-9-3-1-4-10-16)27-21(28-20)30-12-5-2-6-13-30/h1,3-4,7-11,14H,2,5-6,12-13H2,(H2,25,26,27,28,29) |
| InChIK | KDEOOYRWKMDXQY-UHFFFAOYSA-N |
| TotalMolweight | 442.353 |
| Molweight | 442.353 |
| MonoisotopicMass | 441.123547 |
| CLogP | 7.8379 |
| CLogS | -7.377 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 333.18 |
| Relative PSA | 0.21277 |
| PolarSurfaceArea | 78.33 |
| Druglikeness | 2.9448 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
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