(2S)-methyl 6-(1-(1-(tert-butoxycarbonyl)-3-methoxypiperidin-4-yl)-1H-pyrazol-4-yl)-5-cyclobutoxy-2-methyl-3,4-dihydroquinoline-1(2H)-carboxylate
기본 정보
- 표준 SMILES
COC(=O)N1c2ccc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4OC)c3)c(OC3CCC3)c2CC[C@@H]1C- InChIKey
PEKXTPGKGUYPTO-RAYWSRASSA-N- 분자식
- C30H42N4O6
- 평균 분자량
- 554.7 g/mol
이름 및 식별자
- 우선 이름
- (2S)-methyl 6-(1-(1-(tert-butoxycarbonyl)-3-methoxypiperidin-4-yl)-1H-pyrazol-4-yl)-5-cyclobutoxy-2-methyl-3,4-dihydroquinoline-1(2H)-carboxylate
- IUPAC
- methyl (2S)-5-cyclobutyloxy-6-[1-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
이름 및 동의어
SCHEMBL16717323PEKXTPGKGUYPTO-RAYWSRASSA-N(2S)-methyl 6-(1-(1-(tert-butoxycarbonyl)-3-methoxypiperidin-4-yl)-1H-pyrazol-4-yl)-5-cyclobutoxy-2-methyl-3,4-dihydroquinoline-1(2H)-carboxylate
데이터베이스 식별자
- PubChem CID
- 118075809
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 95.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 894
관련 반응
3건
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