[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
Formula:C24H22N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.
| MolName | [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate |
| MolecularFormula | C24H22N2O6S |
| Smiles | O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)NC(CC1)CS1(=O)=O |
| InChI | InChI=1S/C24H22N2O6S/c27-21(25-16-9-11-33(29,30)14-16)13-32-24(28)22-18-5-1-2-6-20(18)26-23-15(7-8-19(22)23)12-17-4-3-10-31-17/h1-6,10,12,16H,7-9,11,13-14H2,(H,25,27)/t16-/m1/s1 |
| InChIK | YGYBOWSBKQQEGJ-MRXNPFEDSA-N |
| TotalMolweight | 466.513 |
| Molweight | 466.513 |
| MonoisotopicMass | 466.119858 |
| CLogP | 1.8903 |
| CLogS | -4.664 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 334.38 |
| Relative PSA | 0.30265 |
| PolarSurfaceArea | 123.95 |
| Druglikeness | -0.34754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 9 |
| Symmetricatoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
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