N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C30H36N8O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-(2-phenoxyethyl)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-(2-phenoxyethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C30H36N8O |
| Smiles | C(COc1ccccc1)n1c(cccc2)c2c(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 |
| InChI | InChI=1S/C30H36N8O/c1-4-12-25(13-5-1)39-21-20-38-23-24(26-14-6-7-15-27(26)38)22-31-35-28-32-29(36-16-8-2-9-17-36)34-30(33-28)37-18-10-3-11-19-37/h1,4-7,12-15,22-23H,2-3,8-11,16-21H2,(H,32,33,34,35) |
| InChIK | QQNRGSXAESHKQJ-UHFFFAOYSA-N |
| TotalMolweight | 524.671 |
| Molweight | 524.671 |
| MonoisotopicMass | 524.301207 |
| CLogP | 7.3754 |
| CLogS | -6.462 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 417.8 |
| Relative PSA | 0.19112 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 2.9841 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 13 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine | 2 - N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
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