기본 정보
- 표준 SMILES
CCC(CC)(c1ccc(CCC(O)(C(F)(F)F)C(F)(F)F)c(C)c1)c1ccc(-c2ccc(CC(=O)OC)cc2)c(C)c1- InChIKey
YRJJYGDXGZQRER-UHFFFAOYSA-N- 분자식
- C33H36F6O3
- 평균 분자량
- 594.6 g/mol
- 단동위원소 질량
- 594.25686398
이름 및 식별자
- 우선 이름
- (4'-{1-Ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl ester
- IUPAC
- methyl 2-[4-[2-methyl-4-[3-[3-methyl-4-[4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyl]phenyl]pentan-3-yl]phenyl]phenyl]acetate
이름 및 동의어
(4'-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)acetic acid methyl esterSCHEMBL1525342(4'-{1-ethyl-1-[3-methyl-4-(4,4,4-trifluoro-3-hydroxy-3-trifluoromethyl-butyl)-phenyl]-propyl}-2'-methyl-biphenyl-4-yl)-acetic Acid Methyl Ester
데이터베이스 식별자
- PubChem CID
- 57709169
물성
구조 계산 물성
- XLogP
- 10
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 845
관련 반응
4건
화합물 노트
불러오는 중…