CCOC(=O)C(C)(C)CC1=CC(=CC=C1)C2(SCCCS2)C3=CC=CC(=C3)CC(C)(C)C(=O)OCC
Nom: ethyl 3-[3-[2-[3-(3-ethoxy-2,2-dimethyl-3-oxopropyl)phenyl]-1,3-dithian-2-yl]phenyl]-2,2-dimethylpropanoate
SMILES: CCOC(=O)C(C)(C)CC1=CC(=CC=C1)C2(SCCCS2)C3=CC=CC(=C3)CC(C)(C)C(=O)OCC

Molecular Processing

Molecular formula
C30H40O4S2
Molecular weight
528.78
Exact mass
528.2368
XLogP
7.02
TPSA
52.6
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
36
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
151.43

Supplementary Information

InChIKey: BKBDVWOFBDPVEC-UHFFFAOYSA-N
Synonymes
3-(3-{2-[3-(2-Ethoxycarbonyl-2-methylpropyl}-phenyl]-[1,3]dithian-2-yl)-phenyl)-2,2-dimethylpropionic acid ethyl ester3-(3-{2-[3-(2-Ethoxycarbonyl-2-methylpropyl}-phenyl]-[1,3]dithian-2-yl}-phenyl)-2,2-dimethylpropionic acid ethyl esterSCHEMBL3280383BKBDVWOFBDPVEC-UHFFFAOYSA-N3-(3-{2-[3-(2-ethoxycarbonyl-2-methyl-propyl)-phenyl]-[1,3]dithian-2-yl }-phenyl)-2,2-dimethyl-propanoic acid ethyl ester3-(3-{2-[3-(2-ethoxycarbonyl-2-methyl-propyl)-phenyl]-[1,3]dithian-2-yl}-phenyl)-2,2-dimethyl-propanoic acid ethyl ester
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

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