2-Butoxy-2-methyl-3-(4-{2-[3-methyl-2-oxo-1-(3-trifluoromethyl-benzyl)-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acid
기본 정보
- 표준 SMILES
CCCCOC(C)(Cc1ccc(OCCC2CN(Cc3cccc(C(F)(F)F)c3)C(=O)N2C)cc1)C(=O)O- InChIKey
QKWBWINJIOTKMV-UHFFFAOYSA-N- 분자식
- C28H35F3N2O5
- 평균 분자량
- 536.6 g/mol
- 단동위원소 질량
- 536.24980671
이름 및 식별자
- 우선 이름
- 2-Butoxy-2-methyl-3-(4-{2-[3-methyl-2-oxo-1-(3-trifluoromethyl-benzyl)-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acid
- IUPAC
- 2-butoxy-2-methyl-3-[4-[2-[3-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]imidazolidin-4-yl]ethoxy]phenyl]propanoic acid
이름 및 동의어
2-Butoxy-2-methyl-3-(4-{2-[3-methyl-2-oxo-1-(3-trifluoromethyl-benzyl)-imidazolidin-4-yl]-ethoxy}-phenyl)-propionic acidSCHEMBL39932102-Butoxy-2-methyl-3-(4-{2-[3-methyl-2-oxo-1-(3-trifluoromethyl-benzyl)-imidazolidin-4-yl]-ethoxy}-phenyl)- propionic acid
데이터베이스 식별자
- PubChem CID
- 10218197
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 774
관련 반응
2건
화합물 노트
불러오는 중…