名称: 4-nitrobenzyl 7-[2-(2-formamido-4-thiazolyl)-2-methoxyiminoacetamido]-3-hydroxy-3-cephem-4-carboxylate
SMILES:
CON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(O)CS[C@H]12)c1csc(NC=O)n1Molecular Processing
Molecular formula
C21H18N6O9S2
Molecular weight
562.54
Exact mass
562.0577
XLogP
0.88
TPSA
202.66
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
132.92
Supplementary Information
詳細情報を取得中…
32 件の反応に参加→