CN1CCNC2SC(=C3C(=O)CC(C)(C)CC3=O)SC21
Name: 2-[2-methyl-2,5-diaza-7,9-dithiabicyclo-(4.3.0)-nonane-8-yliden]-5,5-dimethyl-1,3-cyclohexanedione
SMILES: CN1CCNC2SC(=C3C(=O)CC(C)(C)CC3=O)SC21

Molecular Processing

Molecular formula
C14H20N2O2S2
Molecular weight
312.46
Exact mass
312.0966
XLogP
1.82
TPSA
49.41
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
20
Rings
3
Aromatic rings
0
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
83.45

Supplementary Information

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