(6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C28H26N5O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-2-cyclohexyl-5-imino-[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]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C28H26N5O2ClS |
| Smiles | N=C(/C1=C/c2cn(CCOc(cc3)ccc3Cl)c3c2cccc3)N2N=C(C3CCCCC3)SC2=NC1=O |
| InChI | InChI=1S/C28H26ClN5O2S/c29-20-10-12-21(13-11-20)36-15-14-33-17-19(22-8-4-5-9-24(22)33)16-23-25(30)34-28(31-26(23)35)37-27(32-34)18-6-2-1-3-7-18/h4-5,8-13,16-18,30H,1-3,6-7,14-15H2 |
| InChIK | NUTWONCCPQRLQG-UHFFFAOYSA-N |
| TotalMolweight | 532.066 |
| Molweight | 532.066 |
| MonoisotopicMass | 531.149572 |
| CLogP | 3.9572 |
| CLogS | -5.041 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 387.06 |
| Relative PSA | 0.23141 |
| PolarSurfaceArea | 108.34 |
| Druglikeness | 1.5144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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