名称: (S)-5-(benzo[d]thiazol-2-ylcarbamoyloxy)-4-(3-(2-chloro-3-fluorobenzyl)-1-methylureido)pentanoic acid
SMILES:
CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCC(=O)O)COC(=O)Nc1nc2ccccc2s1Molecular Processing
Molecular formula
C22H22ClFN4O5S
Molecular weight
508.96
Exact mass
508.0983
XLogP
4.71
TPSA
120.86
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
126.66
Supplementary Information
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