SMILES:
CC1(C)COC(=S)N1c1nc(-c2ccc(C#N)cc2)cs1Molecular Processing
Molecular formula
C15H13N3OS2
Molecular weight
315.42
Exact mass
315.05
XLogP
3.58
TPSA
49.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
87.37
Supplementary Information
Details werden geladen…
An 2 Reaktionen beteiligt→