(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
Formula:C24H15N2O6ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione is a drug-like molecule.
| MolName | (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione |
| MolecularFormula | C24H15N2O6ClS |
| Smiles | O/C(/c(cc1)cc2c1OCCO2)=C(\C(c1ccco1)N(C1=O)c2nc(ccc(Cl)c3)c3s2)/C1=O |
| InChI | InChI=1S/C24H15ClN2O6S/c25-13-4-5-14-18(11-13)34-24(26-14)27-20(16-2-1-7-31-16)19(22(29)23(27)30)21(28)12-3-6-15-17(10-12)33-9-8-32-15/h1-7,10-11,20,28H,8-9H2/b21-19+/t20-/m0/s1 |
| InChIK | HTACYAORVWKTGX-NHFXJNLRSA-N |
| TotalMolweight | 494.91 |
| Molweight | 494.91 |
| MonoisotopicMass | 494.033935 |
| CLogP | 4.0102 |
| CLogS | -5.56 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 335.28 |
| Relative PSA | 0.32263 |
| PolarSurfaceArea | 130.34 |
| Druglikeness | -7.1179 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione | 2 - (4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(furan-2-yl)pyrrolidine-2,3-dione
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