N-[(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C24H26N7ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C24H26N7ClS |
| Smiles | Clc(cc1)ccc1Sc1c(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cccc1 |
| InChI | InChI=1S/C24H26ClN7S/c25-19-9-11-20(12-10-19)33-21-8-2-1-7-18(21)17-26-30-22-27-23(31-13-3-4-14-31)29-24(28-22)32-15-5-6-16-32/h1-2,7-12,17H,3-6,13-16H2,(H,27,28,29,30) |
| InChIK | LFVUBNMVBPGSLF-UHFFFAOYSA-N |
| TotalMolweight | 480.038 |
| Molweight | 480.038 |
| MonoisotopicMass | 479.16589 |
| CLogP | 7.6716 |
| CLogS | -7.301 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 361.87 |
| Relative PSA | 0.22237 |
| PolarSurfaceArea | 94.84 |
| Druglikeness | 4.3905 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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