N1,N4-bis(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)terephthalamide

HCID 86672372

기본 정보

표준 SMILES
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)c3ccc(C(=O)NCCOCCOCCNS(=O)(=O)c4cccc(C5CN(C)Cc6c(Cl)cc(Cl)cc65)c4)cc3)c2)C1
InChIKey
NHIXKUDRYQFGKB-UHFFFAOYSA-N
분자식
C52H60Cl4N6O10S2
평균 분자량
1,135 g/mol

이름 및 식별자

우선 이름
N1,N4-bis(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)terephthalamide
IUPAC
1-N,4-N-bis[2-[2-[2-[[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]ethoxy]ethoxy]ethyl]benzene-1,4-dicarboxamide

이름 및 동의어

N1,N4-bis(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)terephthalamideCHEMBL3901018SCHEMBL13275993SCHEMBL31185621NHIXKUDRYQFGKB-UHFFFAOYSA-NBDBM426521US10543207, Example 234N1,N4-bis(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethyl)-terephthalamide

데이터베이스 식별자

PubChem CID
86672372
ChEMBL
CHEMBL3901018

물성

구조 계산 물성

XLogP
6.4
극성 표면적
211 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
14
회전 가능 결합 수
26
무거운 원자 수
74

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