5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Formula:C19H12N6OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.
| MolName | 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| MolecularFormula | C19H12N6OS |
| Smiles | NC(N1N=C(c2cnccc2)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O |
| InChI | InChI=1S/C19H12N6OS/c20-16-14(8-12-10-22-15-6-2-1-5-13(12)15)17(26)23-19-25(16)24-18(27-19)11-4-3-7-21-9-11/h1-10H,20H2 |
| InChIK | RPOPNSKEEBENMD-UHFFFAOYSA-N |
| TotalMolweight | 372.411 |
| Molweight | 372.411 |
| MonoisotopicMass | 372.079329 |
| CLogP | 2.0955 |
| CLogS | -5.436 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 263.67 |
| Relative PSA | 0.35973 |
| PolarSurfaceArea | 121.6 |
| Druglikeness | 5.4802 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-pyridin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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