기본 정보
- CAS
1262414-06-1- 표준 SMILES
CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1O- InChIKey
WQFVTOXIOBZZFP-UHFFFAOYSA-N- 분자식
- C22H25N3O3
- 평균 분자량
- 379.5 g/mol
- 단동위원소 질량
- 379.18959167
이름 및 식별자
- 우선 이름
- 4-[5-(2-Cyclopentyl-6-methoxy-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methyl-phenol
- IUPAC
- 4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenol
이름 및 동의어
1262414-06-14-(5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenol4-[5-(2-cyclopentyl-6-methoxy-pyridin-4-yl)-[1,2,4]oxadiazol-3-yl]-2-ethyl-6-methyl-phenol4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenolPhenol, 4-[5-(2-cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methyl-SCHEMBL2671016WQFVTOXIOBZZFP-UHFFFAOYSA-NDTXSID0011256154-[5-(2-Cyclopentyl-6-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenol
데이터베이스 식별자
- CAS
1262414-06-1- PubChem CID
- 136391015
- DTXSID
DTXSID001125615
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 501
관련 반응
6건
화합물 노트
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