4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester
기본 정보
- 표준 SMILES
CN(C(=O)c1cccc(C(O)(c2cccc(O[Si](C)(C)C(C)(C)C)c2)C2CCN(C(=O)OC(C)(C)C)CC2)c1)c1cccc(F)c1- InChIKey
KKOYNJZJHMJXGB-UHFFFAOYSA-N- 분자식
- C37H49FN2O5Si
- 평균 분자량
- 648.9 g/mol
이름 및 식별자
- 우선 이름
- 4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-[3-[(3-fluorophenyl)-methylcarbamoyl]phenyl]-hydroxymethyl]piperidine-1-carboxylate
이름 및 동의어
SCHEMBL6469249KKOYNJZJHMJXGB-UHFFFAOYSA-N4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[N-(3-fluorophenyl)-N-methyl-carbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester4-([3-(tert-butyldimethylsilanyloxy)phenyl]{3-[n-(3-fluorophenyl)-n-methylcarbamoyl]phenyl}hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester
데이터베이스 식별자
- PubChem CID
- 69790890
물성
구조 계산 물성
- 극성 표면적
- 79.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,040
관련 반응
3건
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