이름: tert-butyl (2RS,4SR,5RS)-1-{2-[3-(3-methoxycarbonylmethylphenyl)ureido]acetyl}-5-(2-fluorophenyl)-4-(4-chlorophenyl)sulphonyl-2-pyrrolidinecarboxylate
SMILES:
COC(=O)Cc1cccc(NC(=O)NCC(=O)N2C(C(=O)OC(C)(C)C)CC(S(=O)(=O)c3ccc(Cl)cc3)C2c2ccccc2F)c1Molecular Processing
Molecular formula
C33H35ClFN3O8S
Molecular weight
688.17
Exact mass
687.1817
XLogP
4.84
TPSA
148.18
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
47
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
171.85
Supplementary Information
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