이름: 7-(2-aminophenyl)-2-(4-(benzyloxy)phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILES:
N#Cc1c(-c2ccc(OCc3ccccc3)cc2)nn2c1NCCC2c1ccccc1NMolecular Processing
Molecular formula
C26H23N5O
Molecular weight
421.5
Exact mass
421.1903
XLogP
4.99
TPSA
88.89
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
125.25
Supplementary Information
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