6-Cyclopentyl-6-[2-(3-fluoro 4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(5-methyl-isoxazol-3-ylmethyl)-5,6-dihydro-pyran-2-one
기본 정보
- 표준 SMILES
Cc1cc(CC2=C(O)CC(CCc3ccc(OC(C)C)c(F)c3)(C3CCCC3)OC2=O)no1- InChIKey
BYEYYGPHBQXBBJ-UHFFFAOYSA-N- 분자식
- C26H32FNO5
- 평균 분자량
- 457.5 g/mol
- 단동위원소 질량
- 457.22645128
이름 및 식별자
- 우선 이름
- 6-Cyclopentyl-6-[2-(3-fluoro 4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(5-methyl-isoxazol-3-ylmethyl)-5,6-dihydro-pyran-2-one
- IUPAC
- 2-cyclopentyl-2-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]-4-hydroxy-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-pyran-6-one
이름 및 동의어
SCHEMBL3988386BYEYYGPHBQXBBJ-UHFFFAOYSA-N6-Cyclopentyl-6-[2-(3-fluoro 4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(5-methyl-isoxazol-3-ylmethyl)-5,6-dihydro-pyran-2-one6-Cyclopentyl-6-[2-(3-fluoro-4-isopropoxy-phenyl)-ethyl]-4-hydroxy-3-(5-methyl-isoxazol-3-ylmethyl)-5,6-dihydro-pyran-2-one
데이터베이스 식별자
- PubChem CID
- 58762745
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 81.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 721
관련 반응
3건
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