3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-hydroxy-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester

HCID 66646352

기본 정보

표준 SMILES
CCCS(=O)(=O)Nc1ccc(F)c(-c2c(O)n(C)c3ncc(C(=O)OC)cc23)c1F
InChIKey
RIOSEXBYTATYAK-UHFFFAOYSA-N
분자식
C19H19F2N3O5S
평균 분자량
439.4 g/mol

이름 및 식별자

우선 이름
3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-hydroxy-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester
IUPAC
methyl 3-[2,6-difluoro-3-(propylsulfonylamino)phenyl]-2-hydroxy-1-methylpyrrolo[2,3-b]pyridine-5-carboxylate

이름 및 동의어

SCHEMBL296822RIOSEXBYTATYAK-UHFFFAOYSA-N3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-hydroxy-methyl-1H-pyrrolo[2,3-b]-pyridine-5-carboxylic acid methyl ester3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-hydroxy-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester3-[2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]hydroxy-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
66646352

물성

구조 계산 물성

XLogP
2.8
극성 표면적
119 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
30

관련 반응

4건

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