Nombre: 4-amino-3-(3-methoxy-4-{[(1-methyl-1H-indol-2-yl)carbonyl]amino}phenyl)-N-(pyrrolidin-2-ylmethyl)thieno[3,2-c]pyridine-7-carboxamide
SMILES:
COc1cc(-c2csc3c(C(=O)NCC4CCCN4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1CMolecular Processing
Molecular formula
C30H30N6O3S
Molecular weight
554.68
Exact mass
554.21
XLogP
4.78
TPSA
123.3
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
40
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.233
Molar refractivity
160.25
Supplementary Information
Obteniendo detalles…
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