이름: Methyl cis(±)-5-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-methoxypiperidin-1-yl)-3-methylthiophene-2-carboxylate
SMILES:
CCc1[nH]c(C(=O)N[C@H]2CCN(c3cc(C)c(C(=O)OC)s3)C[C@H]2OC)nc1ClMolecular Processing
Molecular formula
C19H25ClN4O4S
Molecular weight
440.95
Exact mass
440.1285
XLogP
2.81
TPSA
96.55
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
112.25
Supplementary Information
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