CCOCCCc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1
SMILES: CCOCCCc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(CN(C)C4CCOCC4)cc2)CCS3(=O)=O)cc1

Molecular Processing

Molecular formula
C35H42N2O5S
Molecular weight
602.8
Exact mass
602.2814
XLogP
6.13
TPSA
84.94
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
171.72

Supplementary Information

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