기본 정보
- 표준 SMILES
COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)C1CCC(n2cc([Si](C)(C)C)nn2)CC1- InChIKey
ALMSTKAGJUWTRP-UHFFFAOYSA-N- 분자식
- C31H46N4O3SSi
- 평균 분자량
- 582.9 g/mol
이름 및 식별자
- 우선 이름
- 5-(3,3-Dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-[trans-4-(4-trimethylsilanyl-[1,2,3]triazol-1-yl)-cyclohexyl]-amino]-thiophene-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-(3,3-dimethylbut-1-ynyl)-3-[(4-methylcyclohexanecarbonyl)-[4-(4-trimethylsilyltriazol-1-yl)cyclohexyl]amino]thiophene-2-carboxylate
이름 및 동의어
5-(3,3-dimethyl-but-1-ynyl)-3-[(trans-4-methyl-cyclohexanecarbonyl)-[trans-4-(4-trimethylsilanyl-[1,2,3]triazol-1-yl)-cyclohexyl]-amino]-thiophene-2-carboxylic acid methyl ester5-(3,3-dimethyl-but-1-ynyl)-3-{(trans-4-methyl-cyclohexanecarbonyl)-[trans-4-(4-trimethylsilanyl-[1,2,3]triazol-1-yl)-cyclohexyl]-amino}-thiophene-2-carboxylic acid methyl esterSCHEMBL102288SCHEMBL137958ALMSTKAGJUWTRP-ZWGSZDQZSA-N
데이터베이스 식별자
- PubChem CID
- 59859164
물성
구조 계산 물성
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 967
관련 반응
1건
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