기본 정보
- CAS
113140-33-3- 표준 SMILES
Cc1nc[nH]c1CCC(=O)c1cn(C)c2ccccc12- InChIKey
QZNZJWLUNDXZQA-UHFFFAOYSA-N- 분자식
- C16H17N3O
- 평균 분자량
- 267.33 g/mol
개요
GR 65630 is a member of the class of methylindoles that is 1-methylindole substituted at position 3 by a 3-(4-methylimidazol-5-yl)propanoyl group. It is a member of imidazoles, a methylindole and an aromatic ketone.
이름 및 식별자
- 우선 이름
- 3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
- IUPAC
- 3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one
- 영어명
- 3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanone
- 분자식
- C16H17N3O
- 분자량
- 267.33
이름 및 동의어
3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-1-propanoneRefChem:911033[3H]GR65630CHEMBL122903113140-33-33-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-3-yl)propan-1-one[3H]-GR65630GTPL2303orb2646373SCHEMBL4155303SCHEMBL13186324SCHEMBL29399763
이름 더 보기
1-Propanone, 3-(4-methyl-1H-imidazol-5-yl)-1-(1-methyl-1H-indol-3-yl)-
BDBM50042713HY-164083CS-1099541T88475Q271599313-(4-methyl-1H-imidazol-5-yl)-1-(1-methyl-1H-indol-3-yl)propan-1-one3-(5-Methyl-1H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-propan-1-one3-(5-Methyl-3H-imidazol-4-yl)-1-(1-methyl-1H-indol-3-yl)-propan-1-one (GR 65630)
데이터베이스 식별자
- CAS
113140-33-3- ChEMBL
CHEMBL122903- ChEBI
CHEBI:87784- Nikkaji
- J399.396E
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 50.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 360
화학 및 산업
공급사2 곳
济南思考化学有限公司0531-0000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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