Name: 17-[2-(2-cyclo-hexylthiazol-4-yl)-7-methoxy-8-methyl-quinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid ethyl ester
SMILES:
CCOC(=O)C12CC1C=CCCCCN(C)C(=O)C1CC(Oc3cc(-c4csc(C5CCCCC5)n4)nc4c(C)c(OC)ccc34)CC1C(=O)N2Molecular Processing
Molecular formula
C40H50N4O6S
Molecular weight
714.93
Exact mass
714.3451
XLogP
7.13
TPSA
119.95
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
51
Rings
7
Aromatic rings
3
Saturated rings
3
Aliphatic rings
4
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.575
Molar refractivity
196.84
Supplementary Information
Details werden geladen…
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