N1,N2-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)-ethyl)phthalamide

HCID 86672369

기본 정보

표준 SMILES
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)c3ccccc3C(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
InChIKey
GMXBFKAFQKQQRL-UHFFFAOYSA-N
분자식
C56H68Cl4N6O12S2
평균 분자량
1,223.1 g/mol

이름 및 식별자

우선 이름
N1,N2-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)-ethyl)phthalamide
IUPAC
1-N,2-N-bis[2-[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethoxy]ethyl]benzene-1,2-dicarboxamide

이름 및 동의어

CHEMBL3897159SCHEMBL13276096SCHEMBL31327435GMXBFKAFQKQQRL-UHFFFAOYSA-NN1,N2-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)-ethyl)phthalamideN1,N2-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)phthalamide

데이터베이스 식별자

PubChem CID
86672369
ChEMBL
CHEMBL3897159

물성

구조 계산 물성

XLogP
6.1
극성 표면적
229 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
16
회전 가능 결합 수
32
무거운 원자 수
80

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4건

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