N-[(Z)-pyridin-3-ylmethylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Formula:C18H17N5OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide |
| MolecularFormula | C18H17N5OS2 |
| Smiles | O=C(CSc1c(c(CCCC2)c2s2)c2ncn1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C18H17N5OS2/c24-15(23-22-9-12-4-3-7-19-8-12)10-25-17-16-13-5-1-2-6-14(13)26-18(16)21-11-20-17/h3-4,7-9,11H,1-2,5-6,10H2,(H,23,24) |
| InChIK | SXJUPINOOYIEHA-UHFFFAOYSA-N |
| TotalMolweight | 383.499 |
| Molweight | 383.499 |
| MonoisotopicMass | 383.08745 |
| CLogP | 3.2221 |
| CLogS | -5.395 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 286.6 |
| Relative PSA | 0.37254 |
| PolarSurfaceArea | 133.67 |
| Druglikeness | 0.68987 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-pyridin-3-ylmethylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
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