الاسم: {2-[3-Cyclobutyl-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-propionic acid ethyl ester
SMILES:
CCOC(=O)C(C)Sc1cnc(NC(=O)N(C2CCC2)[C@H]2CC[C@H](C)CC2)s1Molecular Processing
Molecular formula
C20H31N3O3S2
Molecular weight
425.62
Exact mass
425.1807
XLogP
5.15
TPSA
71.53
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
113.98
Supplementary Information
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