(6Z)-5-imino-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C30H24N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]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-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C30H24N6O2S |
| Smiles | C=CCc(cccc1)c1OCCn1c(cccc2)c2c(/C=C(/C(N2N=C(c3cnccc3)SC2=N2)=N)\C2=O)c1 |
| InChI | InChI=1S/C30H24N6O2S/c1-2-8-20-9-3-6-13-26(20)38-16-15-35-19-22(23-11-4-5-12-25(23)35)17-24-27(31)36-30(33-28(24)37)39-29(34-36)21-10-7-14-32-18-21/h2-7,9-14,17-19,31H,1,8,15-16H2 |
| InChIK | SDDZMZQBGNGDJK-UHFFFAOYSA-N |
| TotalMolweight | 532.627 |
| Molweight | 532.627 |
| MonoisotopicMass | 532.168144 |
| CLogP | 4.418 |
| CLogS | -5.323 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 400.66 |
| Relative PSA | 0.25094 |
| PolarSurfaceArea | 121.23 |
| Druglikeness | 3.7123 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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