O=C1N=C(N[C@H]2C[C@@H]3CC[C@H]2C3)SC12CCOCC2
SMILES: O=C1N=C(N[C@H]2C[C@@H]3CC[C@H]2C3)SC12CCOCC2

Molecular Processing

Molecular formula
C14H20N2O2S
Molecular weight
280.39
Exact mass
280.1245
XLogP
1.94
TPSA
50.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
75.19

Supplementary Information

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