기본 정보
- 표준 SMILES
CC(=O)OCCOc1nn(CCO[Si](C)(C)C(C)(C)C)c(N(S(=O)(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1-c1ccc(C)cc1- InChIKey
FHKSYVLARBCTIL-UHFFFAOYSA-N- 분자식
- C42H59N3O8S2Si
- 평균 분자량
- 826.2 g/mol
이름 및 식별자
- 우선 이름
- 2-{[5-(bis{[4-(tert-butyl)phenyl]sulfonyl}amino)-1-{2-([tert-butyl(dimethyl)silyl]oxy}ethyl}4-{4-methylphenyl}-1H-pyrazol-3-yl]oxy}ethyl acetate
- IUPAC
- 2-[5-[bis[(4-tert-butylphenyl)sulfonyl]amino]-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(4-methylphenyl)pyrazol-3-yl]oxyethyl acetate
이름 및 동의어
2-{[5-(bis{[4-(tert-butyl)phenyl]sulfonyl}amino}-1-(2-{[tert-butyl(dimethyl)silyl]oxy}ethyl}-4-{4-methylphenyl}-1H-pyrazol-3-yl]oxy}ethyl acetate2-{[5-(bis{[4-(tert-butyl)phenyl]sulfonyl}amino}-1-{2-{[tert-butyl(dimethyl)silyl]oxy}ethyl}-4-{4-methylphenyl}-1H-pyrazol-3-yl]oxy}ethyl AcetateSCHEMBL6293264FHKSYVLARBCTIL-UHFFFAOYSA-N2-{[5-(bis{[4-(tert-butyl)phenyl]sulfonyl}amino)-1-{2-([tert-butyl(dimethyl)silyl]oxy}ethyl}4-{4-methylphenyl}-1H-pyrazol-3-yl]oxy}ethyl acetate
데이터베이스 식별자
- PubChem CID
- 22282028
물성
구조 계산 물성
- 극성 표면적
- 151 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,420
관련 반응
4건
화합물 노트
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