CT-1812
4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
Molecular Identity
CT-1812
4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenol
PubChem CID: 118278088
2D Structure
Properties
C24H33NO4S
Molecular Formula
431.60
Molecular Weight
g/mol
431.2130
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
75.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)OIsomeric SMILES
SMILES: CC(C)(C)OC1=C(C=CC(=C1)CCC(C)(C)N2CC3=C(C2)C=C(C=C3)S(=O)(=O)C)OSynonyms(20)
1802632-22-9CT-18122-(tert-butoxy)-4-(3-methyl-3-(5-(methylsulfonyl)isoindolin-2-yl)butyl)phenol0661V34NTV2-tert-Butoxy-4-(3-(5-methanesulfonyl-1-1,3-dihydro-isoindol-1-yl)-3-methyl-butyl)-phenolRefChem:1082315CT1812Sigma-2 receptor antagonist 1EX-A2998ZB1519Zervimesine (USAN)4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]-2-[(2-methylpropan-2-yl)oxy]phenolZERVIMESINE [USAN]2243184-39-4Zervimesine
Data from PubChem (NCBI)
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Drug Network
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