6-morpholin-4-yl-2-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
Formula:C26H24N8O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-morpholin-4-yl-2-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine is not a drug-like molecule.
| MolName | 6-morpholin-4-yl-2-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine |
| MolecularFormula | C26H24N8O3 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2nc(N3CCOCC3)nc(N(c3ccccc3)c3ccccc3)n2)ccc1)=O |
| InChI | InChI=1S/C26H24N8O3/c35-34(36)23-13-7-8-20(18-23)19-27-31-24-28-25(32-14-16-37-17-15-32)30-26(29-24)33(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19H,14-17H2,(H,28,29,30,31) |
| InChIK | HWPOGNYEAHFYBG-UHFFFAOYSA-N |
| TotalMolweight | 496.53 |
| Molweight | 496.53 |
| MonoisotopicMass | 496.197137 |
| CLogP | 5.0931 |
| CLogS | -8.074 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 380.85 |
| Relative PSA | 0.2715 |
| PolarSurfaceArea | 124.59 |
| Druglikeness | -1.8712 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.43243 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 6 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 6-morpholin-4-yl-2-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine | 2 - 6-morpholin-4-yl-2-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-N,4-N-diphenyl-1,3,5-triazine-2,4-diamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off