(Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine
Formula:C25H21N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine |
| MolecularFormula | C25H21N3O2S |
| Smiles | C(c1ccccc1)/N=C1\SC=C(c(cc2)cc3c2OCCO3)N1/N=C\c1ccccc1 |
| InChI | InChI=1S/C25H21N3O2S/c1-3-7-19(8-4-1)16-26-25-28(27-17-20-9-5-2-6-10-20)22(18-31-25)21-11-12-23-24(15-21)30-14-13-29-23/h1-12,15,17-18H,13-14,16H2 |
| InChIK | DRPPUEFNBCZZTQ-UHFFFAOYSA-N |
| TotalMolweight | 427.527 |
| Molweight | 427.527 |
| MonoisotopicMass | 427.135447 |
| CLogP | 5.4469 |
| CLogS | -5.977 |
| H Acceptors | 5 |
| TotalSurfaceArea | 327.29 |
| Relative PSA | 0.19573 |
| PolarSurfaceArea | 71.72 |
| Druglikeness | -2.7773 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine | 2 - (Z)-N-benzyl-3-[(Z)-benzylideneamino]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off