CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC
CAS: 136694-15-0
Name: methyl 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-methoxyindol-2-yl]-2,2-dimethylpropanoate
SMILES: CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)Cl)CC(C)(C)C(=O)OC

Molecular Processing

Molecular formula
C26H32ClNO3S
Molecular weight
474.07
Exact mass
473.1791
XLogP
6.98
TPSA
40.46
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.423
Molar refractivity
134.15

Supplementary Information

InChIKey: BCXZYYVYZJHQBR-UHFFFAOYSA-N
Synonyme
136694-15-03-[1-(4-chlorobenzyl)-3-(t-butylthio)-5-methoxyindol-2-yl]-2,2-dimethylpropanoic acid methyl esterSCHEMBL9044184BCXZYYVYZJHQBR-UHFFFAOYSA-NF15325Methyl 3-[1-(4-chlorobenzyl)-3-t-butylthio-5-methoxyindol-2-yl]-2,2-dimethylpropanoate3-[N-p-Chlorobenzyl-3-(t-butylthio)-5-methoxyindol-2-yl]-2,2-dimethylpropanoic acid methyl ester
Quelle anzeigen →
An 31 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→