COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C
Name: compound 16
SMILES: COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCN(C)C(=O)C4C3)cc(-c3nc(C(C)C)cs3)nc2c1C

Molecular Processing

Molecular formula
C35H42N4O6S
Molecular weight
646.81
Exact mass
646.2825
XLogP
5.73
TPSA
130.95
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
46
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.514
Molar refractivity
176.1

Supplementary Information

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