(Z)-4-(5-bromothiophen-2-yl)-N-cyclopropyl-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C19H16N3O2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(5-bromothiophen-2-yl)-N-cyclopropyl-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-4-(5-bromothiophen-2-yl)-N-cyclopropyl-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C19H16N3O2BrS2 |
| Smiles | Brc1ccc(C(N2/N=C\c(cc3)cc4c3OCCO4)=CS/C2=N\C2CC2)s1 |
| InChI | InChI=1S/C19H16BrN3O2S2/c20-18-6-5-17(27-18)14-11-26-19(22-13-2-3-13)23(14)21-10-12-1-4-15-16(9-12)25-8-7-24-15/h1,4-6,9-11,13H,2-3,7-8H2 |
| InChIK | WIEVCLUENMDQKA-UHFFFAOYSA-N |
| TotalMolweight | 462.391 |
| Molweight | 462.391 |
| MonoisotopicMass | 460.986728 |
| CLogP | 5.355 |
| CLogS | -6.279 |
| H Acceptors | 5 |
| TotalSurfaceArea | 294.86 |
| Relative PSA | 0.28631 |
| PolarSurfaceArea | 99.96 |
| Druglikeness | -5.3157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-4-(5-bromothiophen-2-yl)-N-cyclopropyl-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-4-(5-bromothiophen-2-yl)-N-cyclopropyl-3-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1,3-thiazol-2-imine
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