6-[(E)-2-phenylethenyl]-5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione
Formula:C17H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-[(E)-2-phenylethenyl]-5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione is a drug-like molecule.
| MolName | 6-[(E)-2-phenylethenyl]-5-piperidin-1-ylsulfonyl-1H-pyrimidine-2,4-dione |
| MolecularFormula | C17H19N3O4S |
| Smiles | O=C(C(S(N1CCCCC1)(=O)=O)=C(/C=C/c1ccccc1)N1)NC1=O |
| InChI | InChI=1S/C17H19N3O4S/c21-16-15(25(23,24)20-11-5-2-6-12-20)14(18-17(22)19-16)10-9-13-7-3-1-4-8-13/h1,3-4,7-10H,2,5-6,11-12H2,(H2,18,19,21,22) |
| InChIK | CXYDUWMAYQEETG-UHFFFAOYSA-N |
| TotalMolweight | 361.421 |
| Molweight | 361.421 |
| MonoisotopicMass | 361.109627 |
| CLogP | 1.7267 |
| CLogS | -4.051 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 261.78 |
| Relative PSA | 0.30992 |
| PolarSurfaceArea | 103.96 |
| Druglikeness | 1.4932 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 3 |
| StereoCon |
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