이름: benzyl 2-(3-cyano-2-(4-hydroxyphenyl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrimidin-7-yl)phenylcarbamate
SMILES:
N#Cc1c(-c2ccc(O)cc2)nn2c1NCCC2c1ccccc1NC(=O)OCc1ccccc1Molecular Processing
Molecular formula
C27H23N5O3
Molecular weight
465.51
Exact mass
465.1801
XLogP
5.28
TPSA
112.2
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.148
Molar refractivity
131.98
Supplementary Information
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