Methyl 3-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylate

HCID 71472643

基本情報

標準SMILES
COC(=O)c1sc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2
InChIKey
POHPDYDMRZZFSZ-UHFFFAOYSA-N
分子式
C19H13Cl2F4NO3S
平均分子量
482.3 g/mol

名称と識別子

優先名称
Methyl 3-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylate
IUPAC
methyl 1-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carboxylate

名称と別名

1414378-14-5Methyl 3-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylateT003methyl 1-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carboxylateSCHEMBL13857971EX-A1485AKOS0266740163-[5-(3,5-Dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylic acid methyl ester4H-Cyclopenta[c]thiophene-1-carboxylic acid, 3-[5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]-5,6-dihydro-, methyl esterMethyl3-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carboxylate

データベース識別子

PubChem CID
71472643

物性

構造計算による物性

XLogP
6.6
極性表面積
76.1 Ų
水素結合供与体数
0
水素結合受容体数
9
回転可能結合数
4
重原子数
30

関連反応

6 件

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