1h-Pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(4-fluorophenyl)methyl]-4-[[(trifluoromethyl)sulfonyl]oxy]-,ethyl ester
기본 정보
- 표준 SMILES
CCOC(=O)c1ncc2c(ccn2Cc2ccc(F)cc2)c1OS(=O)(=O)C(F)(F)F- InChIKey
FQLDDXRTFLTLQC-UHFFFAOYSA-N- 분자식
- C18H14F4N2O5S
- 평균 분자량
- 446.4 g/mol
- 단동위원소 질량
- 446.05595537
이름 및 식별자
- 우선 이름
- 1h-Pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(4-fluorophenyl)methyl]-4-[[(trifluoromethyl)sulfonyl]oxy]-,ethyl ester
- IUPAC
- ethyl 1-[(4-fluorophenyl)methyl]-4-(trifluoromethylsulfonyloxy)pyrrolo[2,3-c]pyridine-5-carboxylate
이름 및 동의어
1h-pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(4-fluorophenyl)methyl]-4-[[(trifluoromethyl)sulfonyl]oxy]-,ethyl ester868551-57-9SCHEMBL34951871-(4-fluoro-benzyl)-4-trifluoromethanesulfonyloxy-1H-pyrrolo[2,3-c]pyridine -5-carboxylic acid ethyl ester1-(4-fluoro-benzyl)-4-trifluoromethanesulfonyloxy-1H-pyrrolo[2,3-c]pyridine-5-carboxylic acid ethyl esterEthyl 1-(4-fluorobenzyl)-4-[[(trifluoromethyl)sulfonyl]oxy}-1-H-pyrrolo[2,3-c]pyridine-5-carboxylateEthyl 1-(4-fluorobenzyl)-4-{[(trifluoromethyl)sulfonyl]oxy}-1H-pyrrolo[2,3-c]pyridine-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 76852939
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 95.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 706
관련 반응
5건
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