4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methylcarbamoyl]phenyl}-methylene)piperidine-1-carboxylic acid tert-butyl ester
기본 정보
- 표준 SMILES
CN(C(=O)c1cccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2cccc(O[Si](C)(C)C(C)(C)C)c2)c1)c1cccc(F)c1- InChIKey
BLCGDJUJCPGXMD-UHFFFAOYSA-N- 분자식
- C37H47FN2O4Si
- 평균 분자량
- 630.9 g/mol
이름 및 식별자
- 우선 이름
- 4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methylcarbamoyl]phenyl}-methylene)piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-[3-[(3-fluorophenyl)-methylcarbamoyl]phenyl]methylidene]piperidine-1-carboxylate
이름 및 동의어
SCHEMBL6843420BLCGDJUJCPGXMD-UHFFFAOYSA-N4-([3-(tert-butyl-dimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methylcarbamoyl]phenyl}-methylene)piperidine-1-carboxylic acid tert-butyl ester4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methylcarbamoyl]phenyl}-methylene)piperidine-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 69914374
물성
구조 계산 물성
- 극성 표면적
- 59.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,050
관련 반응
3건
화합물 노트
불러오는 중…