[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl4-bromobenzenesulfonate

HCID 20624762

기본 정보

표준 SMILES
Cc1ccc2c3c(ccc2n1)OC[C@H](COS(=O)(=O)c1ccc(Br)cc1)O3
InChIKey
HAWSWGASPAREBJ-CQSZACIVSA-N
분자식
C19H16BrNO5S
평균 분자량
450.3 g/mol
단동위원소 질량
448.99326

이름 및 식별자

우선 이름
[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl4-bromobenzenesulfonate
IUPAC
[(2R)-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4-bromobenzenesulfonate

이름 및 동의어

SCHEMBL4181466HAWSWGASPAREBJ-CQSZACIVSA-N[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl4-bromobenzenesulfonate(2R)-4-bromobenzenesulfonic acid 8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-ylmethyl ester(2r)-4-bromobenzenesulfonic acid-8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-ylmethyl ester[(2R)-8-Methyl-2,3-Dihydro[1,4]-Dioxino[2,3-f]quinolin-2-yl]Methyl 4-Bromobenzenesulfonate[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4 bromobenzene sulfonate[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4-bromo-benzenesulfonate[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4-bromobenzene-sulfonate[(2R)-8-Methyl-2,3-Dihydro[1,4]Dioxino[2,3-f]Quinolin-2-yl]Methyl 4-Bromobenzenesulfonate[(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl-4-bromobenzene sulfonate[(2R)-8-Methyl-2,3-Dihydro[1,4]Dioxino[2,3-f]Quinolin-2-yl]Methyl-4-Bromobenzenesulfonate

데이터베이스 식별자

PubChem CID
20624762

물성

구조 계산 물성

XLogP
4
극성 표면적
83.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
27

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