2-[7-[3-(2-Chloroethoxy)-4-methoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline

HCID 10769844

기본 정보

표준 SMILES
COc1cc2c(cc1OC)CN(CCCCCCC(Sc1ccc(C)cc1)c1ccc(OC)c(OCCCl)c1)CC2
InChIKey
UCPKKHBZTKCRSR-UHFFFAOYSA-N
분자식
C34H44ClNO4S
평균 분자량
598.2 g/mol

이름 및 식별자

우선 이름
2-[7-[3-(2-Chloroethoxy)-4-methoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
IUPAC
2-[7-[3-(2-chloroethoxy)-4-methoxyphenyl]-7-(4-methylphenyl)sulfanylheptyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

이름 및 동의어

2-[7-[3-(2-chloroethoxy)-4-methoxyphenyl)-7-[(4-methylphenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline2-[7-[3-(2-chloroethoxy)-4-methoxyphenyl]-7-[(4-methylphenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolineCHEMBL66097SCHEMBL8794225UCPKKHBZTKCRSR-UHFFFAOYSA-N2-[7-[3 -(2-Chloroethoxy)-4-methoxyphenyl]-7-[(4-methyl phenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-isoquinoline2-[7-[3-(2-Chloroethoxy)-4-methoxyphenvl]-7-[(4-methyl phenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline2-[7-[3-(2-Chloroethoxy)-4-methoxyphenyl]-7-[(4-methyl phenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline2-[7-[3-(2-chloroethoxy)-4-methoxyphenyl]-7[(4-methylphenyl)thio]heptyl]-1,2,3,4-tetrahydro-6,7dimethoxyisoquinoline

데이터베이스 식별자

PubChem CID
10769844
ChEMBL
CHEMBL66097
Nikkaji
J1.141.379J

물성

구조 계산 물성

XLogP
8.3
극성 표면적
65.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
16
무거운 원자 수
41

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