Ethyl 5-[(tert-butoxycarbonyl){2-[5-fluoro-2-({4-[2-(4-fluorophenyl)ethyl]benzyl}oxy)phenyl]-ethyl}amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
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기본 정보
- 표준 SMILES
CCOC(=O)c1ccc2c(n1)CCCC2N(CCc1cc(F)ccc1OCc1ccc(CCc2ccc(F)cc2)cc1)C(=O)OC(C)(C)C- InChIKey
FELKRKRATQHCBN-UHFFFAOYSA-N- 분자식
- C40H44F2N2O5
- 평균 분자량
- 670.8 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5-[(tert-butoxycarbonyl){2-[5-fluoro-2-({4-[2-(4-fluorophenyl)ethyl]benzyl}oxy)phenyl]-ethyl}amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
- IUPAC
- ethyl 5-[2-[5-fluoro-2-[[4-[2-(4-fluorophenyl)ethyl]phenyl]methoxy]phenyl]ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
이름 및 동의어
SCHEMBL15437101FELKRKRATQHCBN-UHFFFAOYSA-Nethyl 5-[(tert-butoxycarbonyl) {2-[5-fluoro-2-({4-[2-(4-fluorophenyl)ethyl]benzyl}oxy)phenyl]-ethyl}amino]-5,6,7,8-tetrahydroquinoline-2-carboxylateethyl 5-[(tert-butoxycarbonyl){2-[5-fluoro-2-({4-[2-(4-fluorophenyl)ethyl]benzyl}oxy)phenyl]-ethyl}amino]-5,6,7,8-tetrahydroquinoline-2-carboxylaterac-Ethyl 5-[(tert-butoxycarbonyl){2-[5-fluoro-2-({4-[2-(4-fluorophenyl)ethyl]benzyl}oxy)-phenyl]ethyl}amino]-5,6,7,8-tetrahydroquinoline-2-carboxylate
데이터베이스 식별자
- PubChem CID
- 86709832
물성
구조 계산 물성보충 중
- XLogP
- 8.7
- 극성 표면적
- 78 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,020
관련 반응
2건
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