6-cyclopentyl-6-[2-(3-ethyl-4-hydroxyphenyl)ethyl]-4-hydroxy-3-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-2H-pyran-2-one
기본 정보
- 표준 SMILES
CCc1cc(CCC2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)ccn4n3)C(=O)O2)ccc1O- InChIKey
IWILHZSAWCNLNH-UHFFFAOYSA-N- 분자식
- C27H32N4O4
- 평균 분자량
- 476.6 g/mol
이름 및 식별자
- 우선 이름
- 6-cyclopentyl-6-[2-(3-ethyl-4-hydroxyphenyl)ethyl]-4-hydroxy-3-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-2H-pyran-2-one
- IUPAC
- 2-cyclopentyl-2-[2-(3-ethyl-4-hydroxyphenyl)ethyl]-4-hydroxy-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-3H-pyran-6-one
이름 및 동의어
SCHEMBL3984943IWILHZSAWCNLNH-UHFFFAOYSA-N6-cyclopentyl-6-[2-(3-ethyl-4-hydroxyphenyl)ethyl]-4-hydroxy-3-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-2H-pyran-2-one
데이터베이스 식별자
- PubChem CID
- 58762498
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 800
관련 반응
3건
화합물 노트
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