(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C25H17N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C25H17N3O4S |
| Smiles | O=C(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)OCC(N=C1SC=CN11)=CC1=O |
| InChI | InChI=1S/C25H17N3O4S/c29-21-13-16(26-25-28(21)9-11-33-25)14-32-24(30)22-18-5-1-2-6-20(18)27-23-15(7-8-19(22)23)12-17-4-3-10-31-17/h1-6,9-13H,7-8,14H2 |
| InChIK | NGKROHSXHJDINO-UHFFFAOYSA-N |
| TotalMolweight | 455.493 |
| Molweight | 455.493 |
| MonoisotopicMass | 455.093977 |
| CLogP | 3.3319 |
| CLogS | -5.976 |
| H Acceptors | 7 |
| TotalSurfaceArea | 329.03 |
| Relative PSA | 0.28481 |
| PolarSurfaceArea | 110.3 |
| Druglikeness | 0.23454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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