CC(C)(C)OC(=O)N1CC(C1)N2C(=CC=N2)C3=C(C=CC(=C3)Cl)OC4=CC(=C(C=C4F)S(=O)(=O)N(CC5=C(C=C(C=C5)OC)OC)C6=NC=NS6)F
Name: tert-butyl 3-[5-[5-chloro-2-[4-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-2,5-difluorophenoxy]phenyl]pyrazol-1-yl]azetidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CC(C1)N2C(=CC=N2)C3=C(C=CC(=C3)Cl)OC4=CC(=C(C=C4F)S(=O)(=O)N(CC5=C(C=C(C=C5)OC)OC)C6=NC=NS6)F

Molecular Processing

Molecular formula
C34H33ClF2N6O7S2
Molecular weight
775.26
Exact mass
774.1509
XLogP
7.33
TPSA
138.21
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
52
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
188.77

Supplementary Information

InChIKey: ZQMRTUAZFFACIE-UHFFFAOYSA-N
Synonyme
SCHEMBL1094239ZQMRTUAZFFACIE-UHFFFAOYSA-NTert-butyl 3-{5-[5-chloro-2-(4-{[(2,4-dimethoxybenzyl)(1,2,4-thiadiazol-5-yl)amino]sulfonyl}-2,5-difluorophenoxy)phenyl]-1H-pyrazol-1-yl}azetidine-1-carboxylate
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