이름: 1-allyl-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethyl-N-(4-methylbenzyl)-1H-pyrrolo[2,3-c]pyridin-5-carboxamide
SMILES:
C=CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(C)cc3)nc(N3CCc4ccccc4C3)c21Molecular Processing
Molecular formula
C30H32N4O
Molecular weight
464.61
Exact mass
464.2576
XLogP
5.64
TPSA
50.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
142.95
Supplementary Information
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