(Z)-4-(1-benzofuran-2-yl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
Formula:C25H23N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(1-benzofuran-2-yl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-4-(1-benzofuran-2-yl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine |
| MolecularFormula | C25H23N3O4S |
| Smiles | C([C@@H]1OCCC1)/N=C1\SC=C(c2cc(cccc3)c3o2)N1/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C25H23N3O4S/c1-2-6-21-18(4-1)13-23(32-21)20-16-33-25(26-15-19-5-3-9-29-19)28(20)27-14-17-7-8-22-24(12-17)31-11-10-30-22/h1-2,4,6-8,12-14,16,19H,3,5,9-11,15H2/t19-/m1/s1 |
| InChIK | UYYBFSRHRJONFO-LJQANCHMSA-N |
| TotalMolweight | 461.541 |
| Molweight | 461.541 |
| MonoisotopicMass | 461.140927 |
| CLogP | 4.8342 |
| CLogS | -6.522 |
| H Acceptors | 7 |
| TotalSurfaceArea | 342.1 |
| Relative PSA | 0.25773 |
| PolarSurfaceArea | 94.09 |
| Druglikeness | -3.8569 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 11 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (Z)-4-(1-benzofuran-2-yl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine | 2 - (Z)-4-(1-benzofuran-2-yl)-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
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