기본 정보
- 표준 SMILES
COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2CCCCCC(C#N)(Sc2ccc(C)cc2)c2ccc(OC)c(OC)c2)cc1OC- InChIKey
FFKSKSAQGOOCPQ-UHFFFAOYSA-N- 분자식
- C42H50N2O6S
- 평균 분자량
- 710.9 g/mol
이름 및 식별자
- 우선 이름
- alpha-(3,4-Dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl) methyl]-3,4-dihydro-6,7-dimethoxy-alpha-[(4-methylphenyl)thio]-2(1H)-isoquinolineheptanenitrile
- IUPAC
- 2-(3,4-dimethoxyphenyl)-7-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-(4-methylphenyl)sulfanylheptanenitrile
이름 및 동의어
CHEMBL304554SCHEMBL8793818FFKSKSAQGOOCPQ-UHFFFAOYSA-Nalpha-(3,4-Dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl) methyl]-3,4-dihydro-6,7-dimethoxy-alpha-[(4-methylphenyl)thio]-2(1H)-isoquinolineheptanenitrilealpha-(3,4-Dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)-methyl]-3,4-dihydro-6,7-dimethoxy-alpha-[(4-methylphenyl)-thio]-2(1H)-isoquinolineheptanenitrilealpha-(3,4-Dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-alpha-[(4-methylphenyl)thio]-2(1H)isoquinolineheptanenitrilealpha-(3,4-Dimethoxyphenyl]-1-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxy-alpha-[(4-methylphenyl)thio]-2(1H)-isoquinolineheptanenitril
데이터베이스 식별자
- PubChem CID
- 19042104
- ChEMBL
CHEMBL304554
물성
구조 계산 물성
- XLogP
- 8.9
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 51
- 형식 전하
- 0
- 복잡도
- 1,070
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4건
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