名称: 1-(2-Methoxyl-5-chlorophenyl)-3-{1-[1-(t-butyloxycarbonyl)-1H-pyrrolo[2,3-b]pyridin-4-ylmethyl]-1H-indol-4-yl}urea
SMILES:
COc1ccc(Cl)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc2c1ccn2C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C29H28ClN5O4
Molecular weight
546.03
Exact mass
545.183
XLogP
7.13
TPSA
99.41
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
39
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.207
Molar refractivity
153.05
Supplementary Information
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