MolName : 2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-2,3-dihydro-1,4-benzodioxin-5-ylmethylideneamino]acetamide |
MolecularFormula : C23H19N3O5Cl2S |
Smiles : O=C(CN(c(cc1)cc(Cl)c1Cl)S(c1ccccc1)(=O)=O)N/N=C\c1c2OCCOc2ccc1 |
InChI : InChI=1S/C23H19Cl2N3O5S/c24-19-10-9-17(13-20(19)25)28(34(30,31)18-6-2-1-3-7-18)15-22(29)27-26-14-16-5-4-8-21-23(16)33-12-11-32-21/h1-10,13-14H,11-12,15H2,(H,27,29) |
InChIK : ZVSXQGAQNNXVIP-UHFFFAOYSA-N |
TotalMolweight : 520.392 |
Molweight : 520.392 |
MonoisotopicMass : 519.042246 |
CLogP : 4.2416 |
CLogS : -6.58 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 364.25 |
Relative PSA : 0.24198 |
PolarSurfaceArea : 105.68 |
Druglikeness : -8.7324 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.47059 |
Fragments : 1 |
Non HAtoms : 34 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 6 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 6 |
Symmetricatoms : 3 |
Amides : 1 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |