(R)-9-(3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-yn-1-yl)-3-methyl-3,4,5,6-tetrahydro-4,6-methanobenzo[3,4]cyclohepta[1,2-d]imidazole-2-carboxamide
기본 정보
- 표준 SMILES
Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)n(C)c2C2CC3C2)no1- InChIKey
LLKPJGFLWPZEBS-DVUMAKGASA-N- 분자식
- C22H21N5O3
- 평균 분자량
- 403.4 g/mol
이름 및 식별자
- 우선 이름
- (R)-9-(3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-yn-1-yl)-3-methyl-3,4,5,6-tetrahydro-4,6-methanobenzo[3,4]cyclohepta[1,2-d]imidazole-2-carboxamide
- IUPAC
- 9-[(3R)-3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-ynyl]-3-methyl-4,5,6,11-tetrahydro-4,6-methanobenzo[3,4]cyclohepta[1,2-d]imidazole-2-carboxamide
이름 및 동의어
CHEMBL4110898SCHEMBL15192663LLKPJGFLWPZEBS-DVUMAKGASA-NBDBM158951US9034866, 426(R)-9-(3-hydroxy-3-(5-methyl-1,2,4-oxadiazol-3-yl)but-1-yn-1-yl)-3-methyl-3,4,5,6-tetrahydro-4,6-methanobenzo[3,4]cyclohepta[1,2-d]imidazole-2-carboxamide
데이터베이스 식별자
- PubChem CID
- 86693508
- ChEMBL
CHEMBL4110898
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 773
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