기본 정보
- 표준 SMILES
CCOC(=O)C[C@@H]1CCc2cc(OCCc3nc(-c4ccc(-c5ccc(-c6ccc(C(C)=O)s6)cc5)cc4)oc3C)ccc21- InChIKey
PPAVFHCPLZSGKM-PMERELPUSA-N- 분자식
- C37H35NO5S
- 평균 분자량
- 605.7 g/mol
이름 및 식별자
- 우선 이름
- ethyl [(1S)-5-(2-{2-[4'-(5-acetyl-2-thienyl)-1,1'-biphenyl-4-yl]-5-methyl-1,3-oxazol-4-yl}ethoxy)-2,3-dihydro-1H-inden-1-yl]acetate
- IUPAC
- ethyl 2-[(1S)-5-[2-[2-[4-[4-(5-acetylthiophen-2-yl)phenyl]phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetate
이름 및 동의어
ethyl[(1S)-5-(2-(2-[4'-(5-acetyl-2-thienyl)-1,1'-biphenyl-4-yl]-5-methyl-1,3-oxazol-4-yl)ethoxy)-2,3-dihydro-1H-inden-1-yl]acetateethyl[(1S)-5-(2-{2-[4'-(5-acetyl-2-thienyl)-1,1'-biphenyl-4-yl]-5-methyl-1,3-oxazol-4-yl}ethoxy)-2,3-dihydro-1h-inden-1-yl]acetatePPAVFHCPLZSGKM-PMERELPUSA-Nethyl [(1S)-5-(2-{2-[4'-(5-acetyl-2-thienyl)-1,1'-biphenyl-4-yl]-5-methyl-1,3-oxazol-4-yl}ethoxy)-2,3-dihydro-1H-inden-1-yl]acetateethyl [(1S)-5-(2-{2-[4'-(5-acetyl-2-thienyl)-1,1-biphenyl-4-yl]-5-methyl-1,3-oxazol-4-yl}ethoxy)-2,3-dihydro-1H-inden-1-yl]acetate
데이터베이스 식별자
- PubChem CID
- 86590243
물성
구조 계산 물성
- XLogP
- 8.2
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 946
관련 반응
5건
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