Methyl 2-phenyl-2-[(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetyl)amino]acetate
기본 정보
- CAS
1024594-48-6- 표준 SMILES
COC(=O)C(NC(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccccc1- InChIKey
UWJQYZUUGNIVND-UHFFFAOYSA-N- 분자식
- C20H16F3N3O4
- 평균 분자량
- 419.4 g/mol
이름 및 식별자
- 우선 이름
- Methyl 2-phenyl-2-[(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetyl)amino]acetate
- IUPAC
- methyl 2-phenyl-2-[[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetyl]amino]acetate
- 영어명
- Methyl 2-phenyl-2-[(2-(3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl)acetyl)amino]acetate
- 분자식
- C20H16F3N3O4
- 분자량
- 419.35
이름 및 동의어
1024594-48-6methyl 2-phenyl-2-[(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetyl)amino]acetateMethyl 2-phenyl-2-[[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetyl]amino]acetatemethyl 2-phenyl-2-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetamido)acetateMethyl 2-phenyl-2-(2-(3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)acetamido)acetateAKOS0050932234W-0342methyl2-phenyl-2-(2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}acetamido)acetateMethyl 2-phenyl-2-[(2-(3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl)acetyl)amino]acetateBenzeneacetic acid, α-[[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]acetyl]amino]-, methyl ester
데이터베이스 식별자
- CAS
1024594-48-6
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 94.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 598
물리화학적 성질
- 밀도
- 1.349 · 1.349±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.4 · 11.40±0.46(Predicted)
관련 반응
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