Toluene-4-sulfonic acid 2-(2-biphenyl-4-yl-methyl-oxazol-4-yl)ethyl ester

HCID 12966835

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)OCCc2nc(-c3ccc(-c4ccccc4)cc3)oc2C)cc1
InChIKey
XKYUFTRQMNAIME-UHFFFAOYSA-N
분자식
C25H23NO4S
평균 분자량
433.5 g/mol

이름 및 식별자

우선 이름
Toluene-4-sulfonic acid 2-(2-biphenyl-4-yl-methyl-oxazol-4-yl)ethyl ester
IUPAC
2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethyl 4-methylbenzenesulfonate

이름 및 동의어

SCHEMBL4885359XKYUFTRQMNAIME-UHFFFAOYSA-Ntoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-5-methyloxazol-4-yl)ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-methyl-oxazol-4-yl)ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl --methyl-oxazol-4-yl)ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethyl estertoluene-4-sulfonic acid 2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)ethyl esterToluene-4-sulfonic acid 2-(5-methyl-2-biphenyl-4-yl-oxazol-4-yl)-ethyl estertoluene-4-sulfonic acid 2-(5-methyl-2-biphenyl-4-yl-oxazol-4-yl)ethyl ester

데이터베이스 식별자

PubChem CID
12966835

물성

구조 계산 물성

XLogP
5.7
극성 표면적
77.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
7
무거운 원자 수
31

관련 반응

40건

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