(Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
Formula:C25H22N4O6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C25H22N4O6S2 |
| Smiles | O=S(c(cc1)ccc1/N=C1\SC=C(c2ccco2)N1/N=C\c(cc1)cc2c1OCO2)(N1CCOCC1)=O |
| InChI | InChI=1S/C25H22N4O6S2/c30-37(31,28-9-12-32-13-10-28)20-6-4-19(5-7-20)27-25-29(21(16-36-25)22-2-1-11-33-22)26-15-18-3-8-23-24(14-18)35-17-34-23/h1-8,11,14-16H,9-10,12-13,17H2 |
| InChIK | MHDZLBKSBFQGMF-UHFFFAOYSA-N |
| TotalMolweight | 538.604 |
| Molweight | 538.604 |
| MonoisotopicMass | 538.098076 |
| CLogP | 3.707 |
| CLogS | -5.233 |
| H Acceptors | 10 |
| TotalSurfaceArea | 379.88 |
| Relative PSA | 0.31668 |
| PolarSurfaceArea | 139.85 |
| Druglikeness | 3.2012 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51351 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 10 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(furan-2-yl)-N-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine
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