N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
Formula:C26H28N7O2Br2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C26H28N7O2Br2Cl |
| Smiles | Clc1c(COc(c(Br)cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCCCC3)n2)c2)c2Br)cccc1 |
| InChI | InChI=1S/C26H28Br2ClN7O2/c27-20-14-18(15-21(28)23(20)38-17-19-6-2-3-7-22(19)29)16-30-34-24-31-25(35-8-4-1-5-9-35)33-26(32-24)36-10-12-37-13-11-36/h2-3,6-7,14-16H,1,4-5,8-13,17H2,(H,31,32,33,34) |
| InChIK | PMAFUEBTOAZBQJ-UHFFFAOYSA-N |
| TotalMolweight | 665.816 |
| Molweight | 665.816 |
| MonoisotopicMass | 663.035972 |
| CLogP | 8.169 |
| CLogS | -8.175 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 429.16 |
| Relative PSA | 0.19335 |
| PolarSurfaceArea | 88 |
| Druglikeness | -0.18783 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52632 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
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