이름: benzyl 2-(3-cyano-2-(4-(4-fluorophenoxyl)phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)phenylcarbamate
SMILES:
N#Cc1c(-c2ccc(Oc3ccc(F)cc3)cc2)nn2c1NCCC2c1ccccc1NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C33H26FN5O3
Molecular weight
559.6
Exact mass
559.202
XLogP
7.51
TPSA
101.2
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
42
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.121
Molar refractivity
156.79
Supplementary Information
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