2-ethyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one
기본 정보
- 표준 SMILES
CCCc1nc(CC)n(-c2ccc3c(c2)CC(C)O3)c(=O)c1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1- InChIKey
DBMDFBDSZDVKKF-UHFFFAOYSA-N- 분자식
- C33H32N4O4
- 평균 분자량
- 548.6 g/mol
- 단동위원소 질량
- 548.24235551
이름 및 식별자
- 우선 이름
- 2-ethyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one
- IUPAC
- 3-[2-[4-[[2-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-6-oxo-4-propylpyrimidin-5-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one
이름 및 동의어
SCHEMBL1887447SCHEMBL12348911DBMDFBDSZDVKKF-UHFFFAOYSA-N2-ethyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-5-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl}-6-propylpyrimidin-4(3H)-one
데이터베이스 식별자
- PubChem CID
- 136026925
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 92.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,090
관련 반응
2건
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