N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C22H24N7OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C22H24N7OClS |
| Smiles | Clc(cc1)ccc1Sc1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)o1 |
| InChI | InChI=1S/C22H24ClN7OS/c23-16-5-8-18(9-6-16)32-19-10-7-17(31-19)15-24-28-20-25-21(29-11-1-2-12-29)27-22(26-20)30-13-3-4-14-30/h5-10,15H,1-4,11-14H2,(H,25,26,27,28) |
| InChIK | CTXHMSITOPFBMY-UHFFFAOYSA-N |
| TotalMolweight | 470 |
| Molweight | 470 |
| MonoisotopicMass | 469.145155 |
| CLogP | 6.9577 |
| CLogS | -6.746 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 351.56 |
| Relative PSA | 0.26903 |
| PolarSurfaceArea | 107.98 |
| Druglikeness | 6.043 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off