N-[(Z)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
Formula:C26H29N7O2BrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-bromo-2-[(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)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C26H29N7O2BrCl |
| Smiles | Clc1c(COc(cc2)c(/C=N\Nc3nc(N4CCOCC4)nc(N4CCCCC4)n3)cc2Br)cccc1 |
| InChI | InChI=1S/C26H29BrClN7O2/c27-21-8-9-23(37-18-19-6-2-3-7-22(19)28)20(16-21)17-29-33-24-30-25(34-10-4-1-5-11-34)32-26(31-24)35-12-14-36-15-13-35/h2-3,6-9,16-17H,1,4-5,10-15,18H2,(H,30,31,32,33) |
| InChIK | BWMKVQXBOZLPPV-UHFFFAOYSA-N |
| TotalMolweight | 586.92 |
| Molweight | 586.92 |
| MonoisotopicMass | 585.125461 |
| CLogP | 7.4438 |
| CLogS | -7.341 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 410.53 |
| Relative PSA | 0.20213 |
| PolarSurfaceArea | 88 |
| Druglikeness | -0.18783 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48649 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off