MolName : (5Z)-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one |
MolecularFormula : C18H22N2O3S3 |
Smiles : O=C(CCCCCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)N1CCOCC1 |
InChI : InChI=1S/C18H22N2O3S3/c21-16(19-8-10-23-11-9-19)6-2-1-3-7-20-17(22)15(26-18(20)24)13-14-5-4-12-25-14/h4-5,12-13H,1-3,6-11H2 |
InChIK : DRLNFFKVXNSCFI-UHFFFAOYSA-N |
TotalMolweight : 410.582 |
Molweight : 410.582 |
MonoisotopicMass : 410.079253 |
CLogP : 2.4005 |
CLogS : -3.7 |
H Acceptors : 5 |
TotalSurfaceArea : 307.05 |
Relative PSA : 0.35509 |
PolarSurfaceArea : 135.48 |
Druglikeness : -3.6611 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : |
Shape Index : 0.65385 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 7 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 1 |
Aromatic Atoms : 5 |
Sp3Atoms : 12 |
Symmetricatoms : 2 |
Amides : 2 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |