N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C22H23N7O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C22H23N7O2Cl2 |
| Smiles | Clc(cccc1-c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCCC4)n3)o2)c1Cl |
| InChI | InChI=1S/C22H23Cl2N7O2/c23-17-5-3-4-16(19(17)24)18-7-6-15(33-18)14-25-29-20-26-21(30-8-1-2-9-30)28-22(27-20)31-10-12-32-13-11-31/h3-7,14H,1-2,8-13H2,(H,26,27,28,29) |
| InChIK | SLANIXZGOJJYAS-UHFFFAOYSA-N |
| TotalMolweight | 488.378 |
| Molweight | 488.378 |
| MonoisotopicMass | 487.129027 |
| CLogP | 6.5734 |
| CLogS | -7.092 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 359.49 |
| Relative PSA | 0.24226 |
| PolarSurfaceArea | 91.91 |
| Druglikeness | 4.8795 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
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