Name: 6-bromo-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
SMILES:
Cc1c(Br)sc2c1c(=O)n(CCCO)c(=O)n2CMolecular Processing
Molecular formula
C11H13BrN2O3S
Molecular weight
333.21
Exact mass
331.983
XLogP
1.22
TPSA
64.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
0.455
Molar refractivity
75.47
Supplementary Information
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