Name: 2-(3-(benzyloxy)-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid
SMILES:
N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CCC3C2C2CCCC2)cc1OCc1ccccc1Molecular Processing
Molecular formula
C31H29N3O3
Molecular weight
491.59
Exact mass
491.2209
XLogP
6.18
TPSA
85.92
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
141.91
Supplementary Information
Details werden geladen…
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