(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C25H22N4O2S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C25H22N4O2S |
| Smiles | C(C/N=C1\SC=C(c(cc2)cc3c2OCCO3)N1/N=C\c1ncccc1)c1ccccc1 |
| InChI | InChI=1S/C25H22N4O2S/c1-2-6-19(7-3-1)11-13-27-25-29(28-17-21-8-4-5-12-26-21)22(18-32-25)20-9-10-23-24(16-20)31-15-14-30-23/h1-10,12,16-18H,11,13-15H2 |
| InChIK | DBVIAWYCCNASDU-UHFFFAOYSA-N |
| TotalMolweight | 442.542 |
| Molweight | 442.542 |
| MonoisotopicMass | 442.146346 |
| CLogP | 4.9301 |
| CLogS | -5.318 |
| H Acceptors | 6 |
| TotalSurfaceArea | 339.81 |
| Relative PSA | 0.2208 |
| PolarSurfaceArea | 84.61 |
| Druglikeness | -2.602 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-phenylethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
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