2-(3-Methoxy-propyl)-4-(methyl-{1-[2-methyl-6-(3-trifluoromethyl-phenyl)-pyridin-3-yl]-butyl}-amino)-phenoxy-acetic acid ethyl ester
기본 정보
- 표준 SMILES
CCCC(c1ccc(-c2cccc(C(F)(F)F)c2)nc1C)N(C)c1ccc(OCC(=O)OCC)c(CCCOC)c1- InChIKey
VKJDBIPTFGVFFV-UHFFFAOYSA-N- 분자식
- C32H39F3N2O4
- 평균 분자량
- 572.7 g/mol
- 단동위원소 질량
- 572.28619222
이름 및 식별자
- 우선 이름
- 2-(3-Methoxy-propyl)-4-(methyl-{1-[2-methyl-6-(3-trifluoromethyl-phenyl)-pyridin-3-yl]-butyl}-amino)-phenoxy-acetic acid ethyl ester
- IUPAC
- ethyl 2-[2-(3-methoxypropyl)-4-[methyl-[1-[2-methyl-6-[3-(trifluoromethyl)phenyl]-3-pyridinyl]butyl]amino]phenoxy]acetate
이름 및 동의어
SCHEMBL1549864VKJDBIPTFGVFFV-UHFFFAOYSA-N[rac]-[2-(3-methoxy-propyl)-4-(methyl-{1-[2-methyl-6-(3-trifluoromethyl-phenyl)-pyridin-3-yl]-butyl}-amino)-phenoxy]-acetic acid ethyl ester2-(3-Methoxy-propyl)-4-(methyl-{1-[2-methyl-6-(3-trifluoromethyl-phenyl)-pyridin-3-yl]-butyl}-amino)-phenoxy-acetic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 67072305
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 60.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 770
관련 반응
2건
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