2-{3-(2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid

HCID 22493653

기본 정보

표준 SMILES
Cc1cccc(COC2CCCC(OCc3nc(-c4cccc(Br)c4)oc3C)C2)c1C(=O)O
InChIKey
XQBMUJQVFFHNIO-UHFFFAOYSA-N
분자식
C26H28BrNO5
평균 분자량
514.4 g/mol
단동위원소 질량
513.11509

이름 및 식별자

우선 이름
2-{3-(2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid
IUPAC
2-[[3-[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxymethyl]-6-methylbenzoic acid

이름 및 동의어

2-{3-(2-(3-bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic acid2-{3-[2-(3-Bromophenyl)-5-methyloxazol-4-ylmethoxy]cyclohexyloxymethyl}-6-methylbenzoic AcidSCHEMBL4837188XQBMUJQVFFHNIO-UHFFFAOYSA-N2-{3-[2-(3-Bromophenyl )-5-methyloxazol-4-ylmethoxyjcyclohexyloxymethyl}-6-methylbenzoic Acid

데이터베이스 식별자

PubChem CID
22493653

물성

구조 계산 물성

XLogP
5.3
극성 표면적
81.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
33

관련 반응

7건

연결된 노트

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