(6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C23H15N5O2ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C23H15N5O2ClF3S |
| Smiles | N=C(/C1=C/c2cn(CCOc(cc3)ccc3Cl)c3c2cccc3)N2N=C(C(F)(F)F)SC2=NC1=O |
| InChI | InChI=1S/C23H15ClF3N5O2S/c24-14-5-7-15(8-6-14)34-10-9-31-12-13(16-3-1-2-4-18(16)31)11-17-19(28)32-22(29-20(17)33)35-21(30-32)23(25,26)27/h1-8,11-12,28H,9-10H2 |
| InChIK | RTVTVCHKHSNWJY-UHFFFAOYSA-N |
| TotalMolweight | 517.918 |
| Molweight | 517.918 |
| MonoisotopicMass | 517.058706 |
| CLogP | 3.0974 |
| CLogS | -4.455 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 348.72 |
| Relative PSA | 0.25685 |
| PolarSurfaceArea | 108.34 |
| Druglikeness | -5.1821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-5-imino-2-(trifluoromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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