COCCn1c(-c2cc(OC)ccc2OC)cc(=O)nc1SC
SMILES: COCCn1c(-c2cc(OC)ccc2OC)cc(=O)nc1SC

Molecular Processing

Molecular formula
C16H20N2O4S
Molecular weight
336.41
Exact mass
336.1144
XLogP
2.3
TPSA
62.58
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
90.69

Supplementary Information

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