이름: Ethyl cis(±)-2-(4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-isopropoxypiperidin-1-yl)-4-(2-methoxyethylcarbamoyl)-1,3-thiazole-5-carboxylate
SMILES:
CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC(C)C)C2)nc1C(=O)NCCOCMolecular Processing
Molecular formula
C24H35ClN6O6S
Molecular weight
571.1
Exact mass
570.2027
XLogP
2.44
TPSA
147.77
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
12
Heavy atoms
38
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
143.35
Supplementary Information
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