이름: di-tert-butyl (1R,2R,3S,4S,5R,6R)-2-(tert-butoxycarbonylamino)-3-[(3,4-dichlorophenyl)methoxy]-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]bicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILES:
Cn1ncnc1S[C@H]1[C@H]2[C@H](C(=O)OC(C)(C)C)[C@H]2[C@](NC(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@@H]1OCc1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C31H42Cl2N4O7S
Molecular weight
685.67
Exact mass
684.2151
XLogP
5.99
TPSA
130.87
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
45
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
6
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.645
Molar refractivity
169.95
Supplementary Information
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