(Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-2-imine
Formula:C23H24N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-2-imine |
| MolecularFormula | C23H24N4O3ClS |
| Smiles | Clc1cc(C(N2/N=C\c(cc3)cc4c3OCO4)=CS/C2=N\CC[NH+]2CCOCC2)ccc1 |
| InChI | InChI=1S/C23H23ClN4O3S/c24-19-3-1-2-18(13-19)20-15-32-23(25-6-7-27-8-10-29-11-9-27)28(20)26-14-17-4-5-21-22(12-17)31-16-30-21/h1-5,12-15H,6-11,16H2/p+1 |
| InChIK | XNDBSNLTTKYDFC-UHFFFAOYSA-O |
| TotalMolweight | 471.988 |
| Molweight | 471.988 |
| MonoisotopicMass | 471.125763 |
| CLogP | 2.3265 |
| CLogS | -5.409 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 358.83 |
| Relative PSA | 0.25541 |
| PolarSurfaceArea | 85.39 |
| Druglikeness | 2.2099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-2-imine | 2 - (Z)-3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-(3-chlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)-1,3-thiazol-2-imine
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