الاسم: [4-(3-cyano-1-ethyl-6-isopropoxy-1H-indol-2-yl)-phenyl]-carbamic acid 2-chloro-ethyl ester
SMILES:
CCn1c(-c2ccc(NC(=O)OCCCl)cc2)c(C#N)c2ccc(OC(C)C)cc21Molecular Processing
Molecular formula
C23H24ClN3O3
Molecular weight
425.92
Exact mass
425.1506
XLogP
5.77
TPSA
76.28
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
119.22
Supplementary Information
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