Name: 7-amino3-[1-(2-carbamoylethyl)tetrazol-5-ylthiomethyl]-3-cephem4-carboxylic acid t-butyl ester
SMILES:
CC(C)(C)OC(=O)C1=C(C(CCC(N)=O)Sc2nnn[nH]2)CS[C@@H]2C(N)C(=O)N12Molecular Processing
Molecular formula
C16H23N7O4S2
Molecular weight
441.54
Exact mass
441.1253
XLogP
-0.24
TPSA
170.18
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
106.19
Supplementary Information
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