기본 정보
- CAS
909857-10-9- 표준 SMILES
CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OCC(O)Cn3nc(C)cc3C)cc12- InChIKey
ZOMHJNPEKHERGF-UHFFFAOYSA-N- 분자식
- C27H30BrN3O4S
- 평균 분자량
- 572.5 g/mol
- 단동위원소 질량
- 571.11404
이름 및 식별자
- 우선 이름
- Ethyl 6-bromo-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
- IUPAC
- ethyl 6-bromo-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
- 영어명
- ethyl 6-bromo-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
- 분자식
- C27H30BrN3O4S
- 분자량
- 572.5138
이름 및 동의어
HMS3429B12ethyl 6-bromo-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylateMFCD03624121AKOS001679454AKOS021670938ethyl 6-bromo-5-[3-(3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylateethyl 6-bromo-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-1-methyl-2-[(phenylthio)methyl]-1H-indole-3-carboxylate
데이터베이스 식별자
- CAS
909857-10-9- PubChem CID
- 3840669
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 715
화학 및 산업
공급사1 곳
SPECS[email protected]
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