(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enenitrile
Formula:C24H19N3O4S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(1,3-benzothiazol-2-yl)-3-[5-(4-morpholin-4-ylsulfonylphenyl)furan-2-yl]prop-2-enenitrile |
| MolecularFormula | C24H19N3O4S2 |
| Smiles | N#C/C(/c1nc(cccc2)c2s1)=C\c1ccc(-c(cc2)ccc2S(N2CCOCC2)(=O)=O)o1 |
| InChI | InChI=1S/C24H19N3O4S2/c25-16-18(24-26-21-3-1-2-4-23(21)32-24)15-19-7-10-22(31-19)17-5-8-20(9-6-17)33(28,29)27-11-13-30-14-12-27/h1-10,15H,11-14H2 |
| InChIK | UENMAAZVKYTARE-UHFFFAOYSA-N |
| TotalMolweight | 477.564 |
| Molweight | 477.564 |
| MonoisotopicMass | 477.081697 |
| CLogP | 3.3215 |
| CLogS | -4.559 |
| H Acceptors | 7 |
| TotalSurfaceArea | 348.61 |
| Relative PSA | 0.29009 |
| PolarSurfaceArea | 133.05 |
| Druglikeness | 0.53023 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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