(5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Formula:C17H20N2O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
| MolecularFormula | C17H20N2O2S3 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)N1CCCCCC1 |
| InChI | InChI=1S/C17H20N2O2S3/c20-15(18-8-3-1-2-4-9-18)7-10-19-16(21)14(24-17(19)22)12-13-6-5-11-23-13/h5-6,11-12H,1-4,7-10H2 |
| InChIK | JLHYZVGJCMYRJC-UHFFFAOYSA-N |
| TotalMolweight | 380.556 |
| Molweight | 380.556 |
| MonoisotopicMass | 380.068688 |
| CLogP | 2.5433 |
| CLogS | -4.049 |
| H Acceptors | 4 |
| TotalSurfaceArea | 283.29 |
| Relative PSA | 0.34957 |
| PolarSurfaceArea | 126.25 |
| Druglikeness | 0.6645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 10 |
| Symmetricatoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - (5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one | 2 - (5Z)-3-[3-(azepan-1-yl)-3-oxopropyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
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