N4,N4'-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)-ethyl)biphenyl-4,4'-disulfonamide
기본 정보
- 표준 SMILES
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c5cccc(C6CN(C)Cc7c(Cl)cc(Cl)cc76)c5)cc4)cc3)c2)C1- InChIKey
YZUIQZXPUDYVJW-UHFFFAOYSA-N- 분자식
- C60H72Cl4N6O14S4
- 평균 분자량
- 1,371.3 g/mol
이름 및 식별자
- 우선 이름
- N4,N4'-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)-ethyl)biphenyl-4,4'-disulfonamide
- IUPAC
- 3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-[2-[2-[2-[2-[[4-[4-[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethylsulfamoyl]phenyl]phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzenesulfonamide
이름 및 동의어
SCHEMBL2578219SCHEMBL30518251YZUIQZXPUDYVJW-UHFFFAOYSA-NN4,N4'-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)-ethyl)biphenyl-4,4'-disulfonamideN4,N4'-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)biphenyl-4,4'-disulfonamide
데이터베이스 식별자
- PubChem CID
- 86672365
물성
구조 계산 물성
- XLogP
- 7.1
- 극성 표면적
- 280 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 20
- 회전 가능 결합 수
- 35
- 무거운 원자 수
- 88
- 형식 전하
- 0
- 복잡도
- 2,340
관련 반응
4건
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