5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C20H18N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C20H18N6O2S |
| Smiles | NC(N1N=C(CC(N2CCCC2)=O)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O |
| InChI | InChI=1S/C20H18N6O2S/c21-18-14(9-12-11-22-15-6-2-1-5-13(12)15)19(28)23-20-26(18)24-16(29-20)10-17(27)25-7-3-4-8-25/h1-2,5-6,9,11H,3-4,7-8,10,21H2 |
| InChIK | PRPQKVIIVKQSMO-UHFFFAOYSA-N |
| TotalMolweight | 406.469 |
| Molweight | 406.469 |
| MonoisotopicMass | 406.121194 |
| CLogP | 0.9023 |
| CLogS | -3.865 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 288.5 |
| Relative PSA | 0.34825 |
| PolarSurfaceArea | 129.02 |
| Druglikeness | 7.6419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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