N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
Formula:C16H15N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is a drug-like molecule.
| MolName | N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide |
| MolecularFormula | C16H15N5O4S |
| Smiles | O=C(C(CC1)=NNC1=O)NCCN(C(/C(/S1)=C/c2cnccc2)=O)C1=O |
| InChI | InChI=1S/C16H15N5O4S/c22-13-4-3-11(19-20-13)14(23)18-6-7-21-15(24)12(26-16(21)25)8-10-2-1-5-17-9-10/h1-2,5,8-9H,3-4,6-7H2,(H,18,23)(H,20,22) |
| InChIK | PINDIZLMBKDBMT-UHFFFAOYSA-N |
| TotalMolweight | 373.392 |
| Molweight | 373.392 |
| MonoisotopicMass | 373.084475 |
| CLogP | -0.5552 |
| CLogS | -2.678 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 269.45 |
| Relative PSA | 0.44016 |
| PolarSurfaceArea | 146.13 |
| Druglikeness | 8.1543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide | 2 - N-[2-[(5Z)-2,4-dioxo-5-(pyridin-3-ylmethylidene)-1,3-thiazolidin-3-yl]ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
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