4-[5-(2,6-diethyl-phenyl)-1-(1-propyl-butyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

HCID 67152595

기본 정보

표준 SMILES
CCCC(CCC)n1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)c2cc(-c3c(CC)cccc3CC)ncc21
InChIKey
YIJCCJWJLKLOEH-UHFFFAOYSA-N
분자식
C34H47N3O2
평균 분자량
529.8 g/mol

이름 및 식별자

우선 이름
4-[5-(2,6-diethyl-phenyl)-1-(1-propyl-butyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl 4-[5-(2,6-diethylphenyl)-1-heptan-4-ylpyrrolo[2,3-c]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

이름 및 동의어

SCHEMBL1762832YIJCCJWJLKLOEH-UHFFFAOYSA-N4-[5-(2,6-diethyl-phenyl)-1-(1-propyl-butyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester4-[5-(2,6-diethyl-phenyl)-1-(1-propyl-butyl)-l H-pyrrolo[2,3-c]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
67152595

물성

구조 계산 물성

XLogP
7.7
극성 표면적
47.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
11
무거운 원자 수
39

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