N-[(Z)-[3,5-dichloro-2-(2-phenoxyethoxy)phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C26H29N7O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3,5-dichloro-2-(2-phenoxyethoxy)phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dichloro-2-(2-phenoxyethoxy)phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C26H29N7O2Cl2 |
| Smiles | Clc(cc1/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc(Cl)c1OCCOc1ccccc1 |
| InChI | InChI=1S/C26H29Cl2N7O2/c27-20-16-19(23(22(28)17-20)37-15-14-36-21-8-2-1-3-9-21)18-29-33-24-30-25(34-10-4-5-11-34)32-26(31-24)35-12-6-7-13-35/h1-3,8-9,16-18H,4-7,10-15H2,(H,30,31,32,33) |
| InChIK | NNSDUGQNDZSWMA-UHFFFAOYSA-N |
| TotalMolweight | 542.469 |
| Molweight | 542.469 |
| MonoisotopicMass | 541.175977 |
| CLogP | 7.8115 |
| CLogS | -7.519 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 407.32 |
| Relative PSA | 0.20372 |
| PolarSurfaceArea | 88 |
| Druglikeness | -3.1942 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[3,5-dichloro-2-(2-phenoxyethoxy)phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[3,5-dichloro-2-(2-phenoxyethoxy)phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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