(+)-Methyl 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate

HCID 86743269

기본 정보

표준 SMILES
COC(=O)CCSC(SCCC(=O)N(C)C)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1
InChIKey
LKJDBNVYDOBYMF-UHFFFAOYSA-N
분자식
C27H29ClN2O3S2
평균 분자량
529.1 g/mol

이름 및 식별자

우선 이름
(+)-Methyl 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate
IUPAC
methyl 3-[[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoate

이름 및 동의어

SCHEMBL9258254LKJDBNVYDOBYMF-UHFFFAOYSA-N(+)-methyl 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(+)-methyl 5-(3-(2-(7-chloroquinoline-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(-)-methyl 5-(3-(2-(7-chloro-quinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(-)-methyl 5-(3-(2-(7-chloroquinolin-2-yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate(-)-methyl 5-(3-(2-(7-chloroquinoline--yl)ethenyl)phenyl)-8-dimethylcarbamyl-4,6-dithiaoctanoate

데이터베이스 식별자

PubChem CID
86743269

물성

구조 계산 물성

XLogP
5.6
극성 표면적
110 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
12
무거운 원자 수
35

관련 반응

10건

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