4,6-dimorpholin-4-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-amine
Formula:C22H25N7O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4,6-dimorpholin-4-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | 4,6-dimorpholin-4-yl-N-[(Z)-naphthalen-1-ylmethylideneamino]-1,3,5-triazin-2-amine |
| MolecularFormula | C22H25N7O2 |
| Smiles | C(COCC1)N1c1nc(N/N=C\c2cccc3ccccc23)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C22H25N7O2/c1-2-7-19-17(4-1)5-3-6-18(19)16-23-27-20-24-21(28-8-12-30-13-9-28)26-22(25-20)29-10-14-31-15-11-29/h1-7,16H,8-15H2,(H,24,25,26,27) |
| InChIK | BYNRTNLNMQVPMK-UHFFFAOYSA-N |
| TotalMolweight | 419.488 |
| Molweight | 419.488 |
| MonoisotopicMass | 419.206973 |
| CLogP | 4.7949 |
| CLogS | -5.147 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 323.8 |
| Relative PSA | 0.25627 |
| PolarSurfaceArea | 88 |
| Druglikeness | 3.2985 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 10 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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