N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C29H33N8Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C29H33N8Cl |
| Smiles | Clc1ccc(Cn2c(cccc3)c3c(/C=N\Nc3nc(N4CCCCC4)nc(N4CCCCC4)n3)c2)cc1 |
| InChI | InChI=1S/C29H33ClN8/c30-24-13-11-22(12-14-24)20-38-21-23(25-9-3-4-10-26(25)38)19-31-35-27-32-28(36-15-5-1-6-16-36)34-29(33-27)37-17-7-2-8-18-37/h3-4,9-14,19,21H,1-2,5-8,15-18,20H2,(H,32,33,34,35) |
| InChIK | UXINDXIYFFMYNS-UHFFFAOYSA-N |
| TotalMolweight | 529.09 |
| Molweight | 529.09 |
| MonoisotopicMass | 528.251669 |
| CLogP | 8.0642 |
| CLogS | -7.033 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 409.46 |
| Relative PSA | 0.17059 |
| PolarSurfaceArea | 74.47 |
| Druglikeness | 3.0085 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 11 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off