(6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C28H26N6O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
| MolName | (6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C28H26N6O3S |
| Smiles | N=C(/C1=C/c2cn(CCOc3ccccc3)c3c2cccc3)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O |
| InChI | InChI=1S/C28H26N6O3S/c29-26-22(27(36)30-28-34(26)31-24(38-28)17-25(35)32-12-6-7-13-32)16-19-18-33(23-11-5-4-10-21(19)23)14-15-37-20-8-2-1-3-9-20/h1-5,8-11,16,18,29H,6-7,12-15,17H2 |
| InChIK | KRLBVSXFIDGMHH-UHFFFAOYSA-N |
| TotalMolweight | 526.619 |
| Molweight | 526.619 |
| MonoisotopicMass | 526.178709 |
| CLogP | 2.1964 |
| CLogS | -3.04 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 387.19 |
| Relative PSA | 0.27418 |
| PolarSurfaceArea | 128.65 |
| Druglikeness | 7.5683 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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