名称: Ethyl 2-[(3S)-3-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}pyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylate
SMILES:
CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)C2)nc1CMolecular Processing
Molecular formula
C17H22ClN5O3S
Molecular weight
411.92
Exact mass
411.1132
XLogP
2.58
TPSA
100.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
103.87
Supplementary Information
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