2-(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester

HCID 67349875

기본 정보

표준 SMILES
CCOC(=O)C(C)(C)c1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3Cl)cc2)cc1
InChIKey
KRIPPPZOZVFRKW-UHFFFAOYSA-N
분자식
C31H31ClN2O5
평균 분자량
547 g/mol

이름 및 식별자

우선 이름
2-(4'-{4-[1-(2-Chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester
IUPAC
ethyl 2-[4-[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]-2-methylpropanoate

이름 및 동의어

SCHEMBL2288159KRIPPPZOZVFRKW-UHFFFAOYSA-N2-(4'-{-4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester2-(4'-{4-[1-(2-chloro-phenyl)-ethoxycarb onylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester2-(4'-{4-[1-(2-chloro-phenyl)-ethoxycarbonylamino]-3-methyl-isoxazol-5-yl}-biphenyl-4-yl)-2-methyl-propionic acid ethyl ester

데이터베이스 식별자

PubChem CID
67349875

물성

구조 계산 물성

XLogP
7.2
극성 표면적
90.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
10
무거운 원자 수
39

관련 반응

4건

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