이름: 6-(triphenylmethylamino)-2,2-dimethyl-3-(N-[ethoxycarbonyl]carbamoyl)penam
SMILES:
CCOC(=O)NC(=O)C1N2C(=O)C(NC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2SC1(C)CMolecular Processing
Molecular formula
C30H31N3O4S
Molecular weight
529.66
Exact mass
529.2035
XLogP
4.27
TPSA
87.74
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
147.39
Supplementary Information
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