2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
Formula:C24H22N7O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C24H22N7O2Cl |
| Smiles | Clc1cc(-c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(Nc4ccccc4)n3)o2)ccc1 |
| InChI | InChI=1S/C24H22ClN7O2/c25-18-6-4-5-17(15-18)21-10-9-20(34-21)16-26-31-23-28-22(27-19-7-2-1-3-8-19)29-24(30-23)32-11-13-33-14-12-32/h1-10,15-16H,11-14H2,(H2,27,28,29,30,31) |
| InChIK | CFSWEKOVCAZFGH-UHFFFAOYSA-N |
| TotalMolweight | 475.939 |
| Molweight | 475.939 |
| MonoisotopicMass | 475.15235 |
| CLogP | 7.0068 |
| CLogS | -7.212 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 363.45 |
| Relative PSA | 0.26138 |
| PolarSurfaceArea | 100.7 |
| Druglikeness | 5.3171 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine | 2 - 2-N-[(Z)-[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
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