(Z)-4-(4-chlorophenyl)-3-[(Z)-(2-nitrophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
Formula:C21H19N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-(4-chlorophenyl)-3-[(Z)-(2-nitrophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine is a drug-like molecule.
| MolName | (Z)-4-(4-chlorophenyl)-3-[(Z)-(2-nitrophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine |
| MolecularFormula | C21H19N4O3ClS |
| Smiles | [O-][N+](c1c(/C=N\N(C(c(cc2)ccc2Cl)=CS2)/C2=N/C[C@@H]2OCCC2)cccc1)=O |
| InChI | InChI=1S/C21H19ClN4O3S/c22-17-9-7-15(8-10-17)20-14-30-21(23-13-18-5-3-11-29-18)25(20)24-12-16-4-1-2-6-19(16)26(27)28/h1-2,4,6-10,12,14,18H,3,5,11,13H2/t18-/m1/s1 |
| InChIK | BUMIZKLJLZLOTN-GOSISDBHSA-N |
| TotalMolweight | 442.926 |
| Molweight | 442.926 |
| MonoisotopicMass | 442.086638 |
| CLogP | 3.8103 |
| CLogS | -6.353 |
| H Acceptors | 7 |
| TotalSurfaceArea | 322.88 |
| Relative PSA | 0.26165 |
| PolarSurfaceArea | 108.31 |
| Druglikeness | -2.0268 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.43333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (Z)-4-(4-chlorophenyl)-3-[(Z)-(2-nitrophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine | 2 - (Z)-4-(4-chlorophenyl)-3-[(Z)-(2-nitrophenyl)methylideneamino]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
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