CC1CCC(CC1)C(=O)N(C2CCC(CC2)O[Si](C)(C)C(C)(C)C)C3=C(SC(=C3)I)C(=O)OC
CAS: 1263101-57-0
Name: methyl 3-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-(4-methylcyclohexanecarbonyl)amino]-5-iodothiophene-2-carboxylate
SMILES: CC1CCC(CC1)C(=O)N(C2CCC(CC2)O[Si](C)(C)C(C)(C)C)C3=C(SC(=C3)I)C(=O)OC

Molecular Processing

Molecular formula
C26H42INO4SSi
Molecular weight
619.68
Exact mass
619.1649
XLogP
7.63
TPSA
55.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
151.31

Supplementary Information

InChIKey: CJYMWNKJDBTNKQ-UHFFFAOYSA-N
Synonyme
1263101-57-03-[[4-(tert-Butyl-dimethyl-silanyloxy)-cyclohexyl]-(4-methyl-cyclohexanecarbonyl)-amino]-5-iodo-thiophene-2-carboxylic acid methyl esterSCHEMBL937035SCHEMBL937037SCHEMBL15383386CJYMWNKJDBTNKQ-UHFFFAOYSA-NMethyl 3-(N-(4-((tert-butyldimethylsilyl)oxy)cyclohexyl)-4-methylcyclohexane-1-carboxamido)-5-iodothiophene-2-carboxylate
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