이름: Ethyl 2-(3-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}azetidin-1-yl)-1,3-thiazole-5-carboxylate
SMILES:
CCOC(=O)c1cnc(N2CC(NC(=O)c3nc(Cl)c(CC)[nH]3)C2)s1Molecular Processing
Molecular formula
C15H18ClN5O3S
Molecular weight
383.86
Exact mass
383.0819
XLogP
1.88
TPSA
100.21
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
94.51
Supplementary Information
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