Buloxibutid
butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
Molecular Identity
Buloxibutid
butyl N-[3-[4-(imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylcarbamate
PubChem CID: 9804984
2D Structure
Properties
C23H29N3O4S2
Molecular Formula
475.60
Molecular Weight
g/mol
475.1599
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
127
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
690
Complexity
SMILES
Canonical SMILES
SMILES: CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3Isomeric SMILES
SMILES: CCCCOC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C=CN=C3Synonyms(20)
477775-14-7BuloxibutidCompound 21butyl (3-(4-((1H-imidazol-1-yl)methyl)phenyl)-5-isobutylthiophen-2-yl)sulfonylcarbamateT2 AGONIST COMPOUND 21RC2V4W0EYCCarbamic acid, ((3-(4-(1H-imidazol-1-ylmethyl)phenyl)-5-(2-methylpropyl)-2-thienyl)sulfonyl)-, butyl esterButyl [3-[4-[(1H-imidazol-1-yl)methyl]phenyl]-5-isobutylthiophen-2-yl]sulfonylcarbamatebutyl (3-(4-((1H-imidazol-1-yl)methyl)phenyl)-5-(2-methylpropyl)thiophene-2-sulfonyl)carbamatebutyl [3-{4-[(1H-imidazol-1-yl)methyl]phenyl}-5-(2-methylpropyl)thiophene-2-sulfonyl]carbamateCarbamic acid, [[3-[4-(1H-imidazol-1-ylmethyl)phenyl]-5-(2-methylpropyl)-2-thienyl]sulfonyl]-, butyl esterRefChem:917711AT2 Agonist C21AT2 receptor agonist C21C-21
Data from PubChem (NCBI)
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