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
- 형식 전하
- 0
- 복잡도
- 641
관련 반응
40건
연결된 노트
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