4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Molecular Formula : C17H12N4O4S3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is a drug-like molecule.
MolName : 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide |
MolecularFormula : C17H12N4O4S3 |
Smiles : O=C(/C(/N1)=C\c2ccc(-c(cc3)ccc3S(Nc3nccs3)(=O)=O)o2)NC1=S |
InChI : InChI=1S/C17H12N4O4S3/c22-15-13(19-16(26)20-15)9-11-3-6-14(25-11)10-1-4-12(5-2-10)28(23,24)21-17-18-7-8-27-17/h1-9H,(H,18,21)(H2,19,20,22,26) |
InChIK : RSZCMQUPJQDSCC-UHFFFAOYSA-N |
TotalMolweight : 432.504 |
Molweight : 432.504 |
MonoisotopicMass : 432.002066 |
CLogP : 2.0921 |
CLogS : -5.346 |
H Acceptors : 8 |
H Donors : 3 |
TotalSurfaceArea : 301.8 |
Relative PSA : 0.49516 |
PolarSurfaceArea : 182.04 |
Druglikeness : 6.4812 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : thio-amide/urea |
Shape Index : 0.60714 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 16 |
Sp3Atoms : 2 |
Symmetricatoms : 3 |
Amides : 2 |
Aromatic Nitrogens : 1 |
StereoCon : |