名称: 2-[4-(benzthiazol-2-yldithio)-3-phenoxyacetamido-2-oxoazetidin-1-yl]-3-hydroxy-crotonic acid 2,2,2-trichloroethyl ester
SMILES:
C/C(O)=C(/C(=O)OCC(Cl)(Cl)Cl)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2ccccc2s1Molecular Processing
Molecular formula
C24H20Cl3N3O6S3
Molecular weight
649
Exact mass
646.958
XLogP
5.47
TPSA
118.06
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
154.15
Supplementary Information
No supplementary data available
2 件の反応に参加→