기본 정보
- 표준 SMILES
CC(C)(OC1CCCCO1)c1ccccc1CC[C@H](OS(C)(=O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1- InChIKey
MBJMLEKKUBQGEQ-CDRRMRQFSA-N- 분자식
- C35H38ClNO5S
- 평균 분자량
- 620.2 g/mol
이름 및 식별자
- 우선 이름
- 2-(2-(2-(3(S)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(methanesulfonyloxy)propyl)phenyl)-2-propoxy)tetrahydro pyran
- IUPAC
- [(1S)-1-[3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-[2-(oxan-2-yloxy)propan-2-yl]phenyl]propyl] methanesulfonate
이름 및 동의어
SCHEMBL2747731MBJMLEKKUBQGEQ-CDRRMRQFSA-N2-(2-(2-(3 (S)-(3-(2-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-(methanesulfonyloxy)propyl) phenyl)-2-propoxy)tetra hydro pyran2-(2-(2-(3(S)-(3-(2-(7-chloro-2-quinolinyl)-ethenyl)phenyl)-3-(methanesulfonyloxy)propyl)phenyl)-2-propoxy)tetra hydro pyran2-(2-(2-(3(S)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(methanesulfonyloxy)propyl)phenyl)-2-propoxy)tetrahydro pyran2-(2-(2-(3(S)-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)-3-(methanesulfonyloxy)propyl)phenyl)-2-propoxy)tetrahydropyran
데이터베이스 식별자
- PubChem CID
- 54063535
물성
구조 계산 물성
- XLogP
- 7.8
- 극성 표면적
- 83.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 999
관련 반응
5건
화합물 노트
불러오는 중…