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
- 형식 전하
- 0
- 복잡도
- 710
관련 반응
9건
화합물 노트
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