(2R,5S)-5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzaldehyde

HCID 53673807

기본 정보

표준 SMILES
C[C@@H]1CN(Cc2ccc(F)cc2)[C@@H](C)CN1C(=O)COc1ccc(Cl)cc1C=O
InChIKey
BBSLUNNJFYBMTP-JKSUJKDBSA-N
분자식
C22H24ClFN2O3
평균 분자량
418.9 g/mol

이름 및 식별자

우선 이름
(2R,5S)-5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzaldehyde
IUPAC
5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzaldehyde

이름 및 동의어

5-Chloro-2-(2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy]-benzaldehyde5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzaldehydeSCHEMBL4587166BBSLUNNJFYBMTP-JKSUJKDBSA-N(2R,5S)-5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzaldehyde(2R,5S)-5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2.5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzaldehyde5-Chloro-2-{2-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-2-Oxo-Ethoxy}-Benzaldehyde

데이터베이스 식별자

PubChem CID
53673807

물성

구조 계산 물성

XLogP
3.8
극성 표면적
49.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
29

관련 반응

10건

화합물 노트

불러오는 중…

(2R,5S)-5-Chloro-2-{2-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-benzaldehyde (HCID 53673807)|Huagongshe