Name: 9-chloro-3-isopropylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
SMILES:
CC(C)c1nnc2c3c(Cl)csc3ncn12Molecular Processing
Molecular formula
C10H9ClN4S
Molecular weight
252.73
Exact mass
252.0236
XLogP
3.12
TPSA
43.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
65.26
Supplementary Information
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