이름: 2,2,2-trichloroethyl 2-bromomethyl-2-methyl-6-[3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido]penam-3-carboxylate
SMILES:
Cc1onc(-c2ccccc2Cl)c1C(=O)NC1C(=O)N2C(C(=O)OCC(Cl)(Cl)Cl)C(C)(CBr)S[C@H]12Molecular Processing
Molecular formula
C21H18BrCl4N3O5S
Molecular weight
646.17
Exact mass
642.8905
XLogP
4.75
TPSA
101.74
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
138.4
Supplementary Information
상세 정보 불러오는 중…
5개 반응에 참여→