名称: 1-{(2R)-2-[(tert-butoxycarbonyl)amino]-2-cyclohexylethanoyl}-N-[5-chloro-2-(4-chloro-1,2,5-thiadiazol-3-yl)benzyl]-L-prolinamide
SMILES:
CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1-c1nsnc1Cl)C1CCCCC1Molecular Processing
Molecular formula
C27H35Cl2N5O4S
Molecular weight
596.58
Exact mass
595.1787
XLogP
5.59
TPSA
113.52
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.593
Molar refractivity
151.68
Supplementary Information
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