3-[4-(1-(isopropylsulfonylaminocarbonyl)-1-(3,4-methylenedioxyphenyl)methoxy)-3,5-dipropylphenyl-methyl]-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine

HCID 19010490
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)NS(=O)(=O)C(C)C)c1ccc2c(c1)OCO2
InChIKey
WSUPDCMKPUAGDA-UHFFFAOYSA-N
분자식
C35H44N4O6S
평균 분자량
648.8 g/mol

이름 및 식별자

우선 이름
3-[4-(1-(isopropylsulfonylaminocarbonyl)-1-(3,4-methylenedioxyphenyl)methoxy)-3,5-dipropylphenyl-methyl]-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridine
IUPAC
2-(1,3-benzodioxol-5-yl)-2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-2,6-dipropylphenoxy]-N-propan-2-ylsulfonylacetamide

이름 및 동의어

CHEMBL16018SCHEMBL9396276WSUPDCMKPUAGDA-UHFFFAOYSA-NBDBM502844673-[4-(1-(isopropylsulfonylaminocarbonyl)-1-(3,4-methylenedioxyphenyl)methoxy)-3,5-dipropylphenyl-methyl]-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]pyridinePropane-2-sulfonic acid {2-benzo[1,3]dioxol-5-yl-2-[4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-2,6-dipropyl-phenoxy]-acetyl}-amide

데이터베이스 식별자

PubChem CID
19010490
ChEMBL
CHEMBL16018

물성

구조 계산 물성

XLogP
7.8
극성 표면적
130 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
13
무거운 원자 수
46

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