名称: tert-butyl 2-[7-(5-bromo-2-thienyl)-4-tert-butoxycarbonyl-1,1-dioxoperhydro-1,4-thiazepin-7-yl]acetate
SMILES:
CC(C)(C)OC(=O)CC1(c2ccc(Br)s2)CCN(C(=O)OC(C)(C)C)CCS1(=O)=OMolecular Processing
Molecular formula
C20H30BrNO6S2
Molecular weight
524.5
Exact mass
523.0698
XLogP
4.49
TPSA
89.98
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
30
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
120.37
Supplementary Information
詳細情報を取得中…
4 件の反応に参加→