1,2,3,4-Tetrahydro-2-[7-[3-[2-(1H-imidazol-1-yl)-ethoxy]-4-methoxyphenyl]-7-[(4-methylphenyl)thio]-heptyl]-6,7-dimethoxyisoquinoline

HCID 10841697

기본 정보

표준 SMILES
COc1cc2c(cc1OC)CN(CCCCCCC(Sc1ccc(C)cc1)c1ccc(OC)c(OCCn3ccnc3)c1)CC2
InChIKey
CNORTMXIZFGKGH-UHFFFAOYSA-N
분자식
C37H47N3O4S
평균 분자량
629.9 g/mol

이름 및 식별자

우선 이름
1,2,3,4-Tetrahydro-2-[7-[3-[2-(1H-imidazol-1-yl)-ethoxy]-4-methoxyphenyl]-7-[(4-methylphenyl)thio]-heptyl]-6,7-dimethoxyisoquinoline
IUPAC
2-[7-[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]-7-(4-methylphenyl)sulfanylheptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

이름 및 동의어

CHEMBL69580SCHEMBL8794522CNORTMXIZFGKGH-UHFFFAOYSA-N1,2,3,4-Tetrahydro-2-[7-[3-[2-(1H-imidazol-1-yl)-ethoxy]-4-methoxyphenyl]-7-[(4-methylphenyl)thio]-heptyl]-6,7-dimethoxyisoquinoline1,2,3,4-Tetrahydro-2-[7-[3-[2-(1H-imidazol-1-yl)-ethoxy]-4-methoxyphenyl]-7-[(4-methylphenyl)thio]heptyl]-6,7-dimethoxyisoquinoline1,2,3,4-Tetrahydro-2-[7-[3-[2-(1H-imidazol-1-yl)ethoxy]-4-methoxyphenyl]-7-[(4-methylphenyl]thio]heptyl]-6,7-dimethoxyisoquinoline

데이터베이스 식별자

PubChem CID
10841697
ChEMBL
CHEMBL69580
Nikkaji
J1.141.372B

물성

구조 계산 물성

XLogP
7.5
극성 표면적
83.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
17
무거운 원자 수
45

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4건

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