(6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C29H23N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C29H23N5O3S |
| Smiles | N=C(/C1=C/c2cn(CCOc3ccccc3)c3c2cccc3)N2N=C(COc3ccccc3)SC2=NC1=O |
| InChI | InChI=1S/C29H23N5O3S/c30-27-24(28(35)31-29-34(27)32-26(38-29)19-37-22-11-5-2-6-12-22)17-20-18-33(25-14-8-7-13-23(20)25)15-16-36-21-9-3-1-4-10-21/h1-14,17-18,30H,15-16,19H2 |
| InChIK | NDAIDCDTFSLXDL-UHFFFAOYSA-N |
| TotalMolweight | 521.6 |
| Molweight | 521.6 |
| MonoisotopicMass | 521.15216 |
| CLogP | 3.0258 |
| CLogS | -3.929 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 387.36 |
| Relative PSA | 0.25705 |
| PolarSurfaceArea | 117.57 |
| Druglikeness | 6.4674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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