기본 정보
- 표준 SMILES
CCCc1nc(C(C)(C)O)c(C(=O)OC2OC(=O)c3ccccc32)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1- InChIKey
ARKYTZRQQZPNSJ-UHFFFAOYSA-N- 분자식
- C51H44N6O5
- 평균 분자량
- 820.9 g/mol
- 단동위원소 질량
- 820.33731853
이름 및 식별자
- 우선 이름
- Phthalidyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
- IUPAC
- (3-oxo-1H-2-benzofuran-1-yl) 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
이름 및 동의어
phthalidyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylatePhthalidyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylateSCHEMBL7310267ARKYTZRQQZPNSJ-UHFFFAOYSA-NPhthalidyl 4-(1-hydroxyl-1-methylethyl)-2-propyl-1-{4-[2-(trityltetrazol-5-yl)phenyl]phenyl}methylimidazole-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 19036269
물성
구조 계산 물성
- XLogP
- 9.7
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,430
관련 반응
6건
화합물 노트
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