COc1ccc(CN2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3CC3)NC(=O)C3CC(Oc4cc(-c5nc(C(C)C)cs5)nc5c(C)c(OC)ccc45)CN3C2=O)cc1
名称: N-[[18-[2-[4-(isopropyl)thiazol-2-yl]-7-methoxy-8-methylquinolin-4-yloxy]-2,15-dioxo-14-(4-methoxybenzyl)-3,14,16-triazatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]carbonyl](cyclopropyl)sulfonamide
SMILES: COc1ccc(CN2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3CC3)NC(=O)C3CC(Oc4cc(-c5nc(C(C)C)cs5)nc5c(C)c(OC)ccc45)CN3C2=O)cc1

Molecular Processing

Molecular formula
C45H54N6O8S2
Molecular weight
871.09
Exact mass
870.3445
XLogP
6.86
TPSA
169.36
H-bond donors
2
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
61
Rings
8
Aromatic rings
4
Saturated rings
3
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.489
Molar refractivity
233.23

Supplementary Information

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