N-[(Z)-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C26H30N7OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C26H30N7OClS |
| Smiles | Clc(cc1)ccc1SCCOc1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 |
| InChI | InChI=1S/C26H30ClN7OS/c27-21-7-11-23(12-8-21)36-18-17-35-22-9-5-20(6-10-22)19-28-32-24-29-25(33-13-1-2-14-33)31-26(30-24)34-15-3-4-16-34/h5-12,19H,1-4,13-18H2,(H,29,30,31,32) |
| InChIK | YOMCPFXDUOFRAU-UHFFFAOYSA-N |
| TotalMolweight | 524.091 |
| Molweight | 524.091 |
| MonoisotopicMass | 523.192105 |
| CLogP | 7.8434 |
| CLogS | -7.545 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 399.39 |
| Relative PSA | 0.22652 |
| PolarSurfaceArea | 104.07 |
| Druglikeness | 3.984 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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