이름: N-(4-{4-amino-7-[(1E)-3-aminoprop-1-enyl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
SMILES:
COc1cc(-c2csc3c(/C=C/CN)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1CMolecular Processing
Molecular formula
C27H25N5O2S
Molecular weight
483.6
Exact mass
483.1729
XLogP
5.27
TPSA
108.19
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
35
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
144.98
Supplementary Information
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