이름: 4-{4-[(4,5-dichloro-1-ethyl-1H-indole-2-carbonyl)-amino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
SMILES:
CCn1c(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc2c(Cl)c(Cl)ccc21Molecular Processing
Molecular formula
C26H30Cl2N4O3
Molecular weight
517.46
Exact mass
516.1695
XLogP
6.28
TPSA
66.81
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
35
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
142.05
Supplementary Information
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