(6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C28H22N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C28H22N6O2S |
| Smiles | N=C(/C1=C/c2cn(CCCOc3ccccc3)c3c2cccc3)N2N=C(c3cnccc3)SC2=NC1=O |
| InChI | InChI=1S/C28H22N6O2S/c29-25-23(26(35)31-28-34(25)32-27(37-28)19-8-6-13-30-17-19)16-20-18-33(24-12-5-4-11-22(20)24)14-7-15-36-21-9-2-1-3-10-21/h1-6,8-13,16-18,29H,7,14-15H2 |
| InChIK | GZXGTVMTLVWQCA-UHFFFAOYSA-N |
| TotalMolweight | 506.589 |
| Molweight | 506.589 |
| MonoisotopicMass | 506.152494 |
| CLogP | 3.844 |
| CLogS | -4.881 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 376.12 |
| Relative PSA | 0.26731 |
| PolarSurfaceArea | 121.23 |
| Druglikeness | 5.9742 |
| 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 | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-6-[[1-(3-phenoxypropyl)indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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