CC(C)(C)OC(=O)NC1=NC(COC1)(CF)C2=CC(=CC=C2)NC(=O)C3=NC=C(C=C3)Br
Nombre: tert-butyl N-[5-[3-[(5-bromopyridine-2-carbonyl)amino]phenyl]-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate
SMILES: CC(C)(C)OC(=O)NC1=NC(COC1)(CF)C2=CC(=CC=C2)NC(=O)C3=NC=C(C=C3)Br

Molecular Processing

Molecular formula
C22H24BrFN4O4
Molecular weight
507.36
Exact mass
506.0965
XLogP
4.21
TPSA
101.91
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
121.61

Supplementary Information

InChIKey: FNLDNBYMZGTHOK-UHFFFAOYSA-N
Sinónimos
SCHEMBL360500FNLDNBYMZGTHOK-UHFFFAOYSA-N(5-{3-[(5-Bromo-pyridine-2-carbonyl)-amino]-phenyl}-5-fluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl)-carbamic acid tert-butyl ester
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