이름: 4-(2-Chloro-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-6-ylmethyl)-piperazine-1-carboxylic acid (2-methoxy-ethyl)-methyl-amide
SMILES:
COCCN(C)C(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1Molecular Processing
Molecular formula
C20H29ClN6O3S
Molecular weight
469.01
Exact mass
468.171
XLogP
2
TPSA
74.27
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
122.21
Supplementary Information
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