Nombre: 3-{2-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1-thia-10-aza-benzo[e]azulen-9-ylamino}-azetidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CC(Nc2ccc3c(n2)-c2sc(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)C1Molecular Processing
Molecular formula
C27H26F2N6O3S
Molecular weight
552.61
Exact mass
552.1755
XLogP
5.3
TPSA
94.4
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
142.24
Supplementary Information
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