(5Z)-5-(2H-chromen-3-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H17NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(2H-chromen-3-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H17NO3S2 |
| Smiles | O=C(/C(/S1)=C/C2=Cc(cccc3)c3OC2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C18H17NO3S2/c20-17-16(24-18(23)19(17)10-14-5-3-7-21-14)9-12-8-13-4-1-2-6-15(13)22-11-12/h1-2,4,6,8-9,14H,3,5,7,10-11H2/t14-/m1/s1 |
| InChIK | FIWQYSOYZJBOGA-CQSZACIVSA-N |
| TotalMolweight | 359.469 |
| Molweight | 359.469 |
| MonoisotopicMass | 359.064984 |
| CLogP | 2.1071 |
| CLogS | -4.123 |
| H Acceptors | 4 |
| TotalSurfaceArea | 261.73 |
| Relative PSA | 0.31361 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 2.7839 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-(2H-chromen-3-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(2H-chromen-3-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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