5-(3,3-Dimethyl-but-1-ynyl)-3-[[2-(ethoxy-methyl-phosphinoyl)-ethyl]-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
기본 정보
- 표준 SMILES
CCOP(C)(=O)CCN(C(=O)C1CCC(C)CC1)c1cc(C#CC(C)(C)C)sc1C(=O)O- InChIKey
VJFYXSBTYFLSMZ-UHFFFAOYSA-N- 분자식
- C24H36NO5PS
- 평균 분자량
- 481.6 g/mol
이름 및 식별자
- 우선 이름
- 5-(3,3-Dimethyl-but-1-ynyl)-3-[[2-(ethoxy-methyl-phosphinoyl)-ethyl]-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
- IUPAC
- 5-(3,3-dimethylbut-1-ynyl)-3-[2-[ethoxy(methyl)phosphoryl]ethyl-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
이름 및 동의어
SCHEMBL1443545SCHEMBL9961539VJFYXSBTYFLSMZ-UHFFFAOYSA-N5-(3,3-Dimethyl-but-1-ynyl)-3-[[2-(ethoxy-methyl-phosphinoyl)-ethyl]-(4-methyl-cyclohexanecarbonyl)-amino]-thiophene-2-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 67035914
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 787
관련 반응
4건
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