(Z)-N-cyclohexyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine
Formula:C23H21N5O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-cyclohexyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine is not a drug-like molecule.
| MolName | (Z)-N-cyclohexyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine |
| MolecularFormula | C23H21N5O6S |
| Smiles | [O-][N+](c(cc1)ccc1C(N1/N=C\c(cc2OCOc2c2)c2[N+]([O-])=O)=CS/C1=N\C1CCCCC1)=O |
| InChI | InChI=1S/C23H21N5O6S/c29-27(30)18-8-6-15(7-9-18)20-13-35-23(25-17-4-2-1-3-5-17)26(20)24-12-16-10-21-22(34-14-33-21)11-19(16)28(31)32/h6-13,17H,1-5,14H2 |
| InChIK | VJXVUIVLSKNIQM-UHFFFAOYSA-N |
| TotalMolweight | 495.515 |
| Molweight | 495.515 |
| MonoisotopicMass | 495.121255 |
| CLogP | 3.65 |
| CLogS | -7.677 |
| H Acceptors | 11 |
| TotalSurfaceArea | 355.15 |
| Relative PSA | 0.35168 |
| PolarSurfaceArea | 163.36 |
| Druglikeness | -7.7204 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-N-cyclohexyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine | 2 - (Z)-N-cyclohexyl-3-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-(4-nitrophenyl)-1,3-thiazol-2-imine
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