CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C3=NOC(C3)C4=CC=CC=C4OCC5CCCCC5
الاسم: tert-butyl 4-[4-[5-[2-(cyclohexylmethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C3=NOC(C3)C4=CC=CC=C4OCC5CCCCC5

Molecular Processing

Molecular formula
C29H39N3O4S
Molecular weight
525.72
Exact mass
525.2661
XLogP
7.08
TPSA
73.25
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
37
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.621
Molar refractivity
145.39

Supplementary Information

InChIKey: HVCQBNMBFQKBNM-UHFFFAOYSA-N
مرادفات
tert-Butyl 4-(4-(5-[2-(cyclohexylmethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl)-1,3-thiazol-2-yl)piperidine-1-carboxylatetert-Butyl 4-(4-{5-[2-(cyclohexylmethoxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl}-1,3-thiazol-2-yl)piperidine-1-carboxylateSCHEMBL2003383HVCQBNMBFQKBNM-UHFFFAOYSA-N
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