기본 정보
- 표준 SMILES
CCOC(=O)c1ccc2c(n1)CCCC2N(CCc1cc(F)ccc1O)C(=O)OC(C)(C)C- InChIKey
DLTZWRSHQHHYIX-UHFFFAOYSA-N- 분자식
- C25H31FN2O5
- 평균 분자량
- 458.5 g/mol
이름 및 식별자
- 우선 이름
- Rac-ethyl 5-{(tert-butoxycarbonyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]-amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
- IUPAC
- ethyl 5-[2-(5-fluoro-2-hydroxyphenyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
이름 및 동의어
SCHEMBL15449263DLTZWRSHQHHYIX-UHFFFAOYSA-Nrac-Ethyl 5-{(tert-butoxycarbonyl) [2-(5-fluoro-2-hydroxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-ethyl 5-{(tert-butoxycarbonyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]-amino}-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-Ethyl 5-{(tert-butoxycarbonyl)[2-(5-fluoro-2-hydroxyphenyl)ethyl]amino}-5,6,7,8-tetrahydroquinoline-2-carboxylate
데이터베이스 식별자
- PubChem CID
- 89950552
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 89 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 670
관련 반응
3건
화합물 노트
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