(Z)-N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
Formula:C23H24N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine |
| MolecularFormula | C23H24N4O2S |
| Smiles | C(CC1)CCC1/N=C1\SC=C(c(cc2)cc3c2OCCO3)N1/N=C\c1cnccc1 |
| InChI | InChI=1S/C23H24N4O2S/c1-2-6-19(7-3-1)26-23-27(25-15-17-5-4-10-24-14-17)20(16-30-23)18-8-9-21-22(13-18)29-12-11-28-21/h4-5,8-10,13-16,19H,1-3,6-7,11-12H2 |
| InChIK | ZFVJXUWEKBVRHD-UHFFFAOYSA-N |
| TotalMolweight | 420.536 |
| Molweight | 420.536 |
| MonoisotopicMass | 420.161996 |
| CLogP | 4.5836 |
| CLogS | -5.433 |
| H Acceptors | 6 |
| TotalSurfaceArea | 320.33 |
| Relative PSA | 0.23423 |
| PolarSurfaceArea | 84.61 |
| Druglikeness | -9.695 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine | 2 - (Z)-N-cyclohexyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-imine
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