名称: N-(4-(5-((benzyl(methyl)amino)methyl)-1-(2,6-difluorobenzyl)-1,2,3,4-tetrahydro-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl)phenyl)-N′-methoxyurea
SMILES:
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1Molecular Processing
Molecular formula
C36H31F2N5O4S
Molecular weight
667.74
Exact mass
667.2065
XLogP
6.52
TPSA
97.6
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
48
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.139
Molar refractivity
183.35
Supplementary Information
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