N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
Formula:C19H17N4OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide |
| MolecularFormula | C19H17N4OClS2 |
| Smiles | O=C(CSc1ncnc2c1c(CCCC1)c1s2)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C19H17ClN4OS2/c20-14-7-3-1-5-12(14)9-23-24-16(25)10-26-18-17-13-6-2-4-8-15(13)27-19(17)22-11-21-18/h1,3,5,7,9,11H,2,4,6,8,10H2,(H,24,25) |
| InChIK | CCDRRYDLOZMCBV-UHFFFAOYSA-N |
| TotalMolweight | 416.956 |
| Molweight | 416.956 |
| MonoisotopicMass | 416.053228 |
| CLogP | 4.829 |
| CLogS | -6.926 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.26 |
| Relative PSA | 0.3159 |
| PolarSurfaceArea | 120.78 |
| Druglikeness | 0.71714 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide
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