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
- 형식 전하
- 0
- 복잡도
- 604
관련 반응
47건
화합물 노트
불러오는 중…