名称: tert-butyl ((4S,6S)-4-(6-bromo-3-fluoropyridin-2-yl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl)carbamate
SMILES:
CC(C)(C)OC(=O)NC1=N[C@](C)(c2nc(Br)ccc2F)C[C@@H](C(F)(F)F)O1Molecular Processing
Molecular formula
C16H18BrF4N3O3
Molecular weight
456.23
Exact mass
455.0468
XLogP
4.43
TPSA
72.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
91.6
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→