(1S,2S)-N-(2'-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridin]-5-yl)-2-fluorocyclopropanecarboxamide
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기본 정보
- 표준 SMILES
Cn1cc(-c2ccnc(-n3ncc4cc(C(C)(C)C)cc(F)c4c3=O)c2CO)cc(NC(=O)[C@@H]2C[C@@H]2F)c1=O- InChIKey
SEGFWFQHVPYNMS-QUCCMNQESA-N- 분자식
- C28H27F2N5O4
- 평균 분자량
- 535.5 g/mol
이름 및 식별자
- 우선 이름
- (1S,2S)-N-(2'-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridin]-5-yl)-2-fluorocyclopropanecarboxamide
- IUPAC
- cis-(1S,2S)-N-[5-[2-(6-tert-butyl-8-fluoro-1-oxophthalazin-2-yl)-3-(hydroxymethyl)-4-pyridinyl]-1-methyl-2-oxo-3-pyridinyl]-2-fluorocyclopropane-1-carboxamide
이름 및 동의어
1643937-22-7CHEMBL4634904(1S,2S)-N-(2'-(6-(tert-Butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo-1,6-dihydro-[3,4'-bipyridin]-5-yl)-2-fluorocyclopropanecarboxamide(1S,2S)-N-[2'-(6-tert-butyl-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo[1,6-dihydro[3,4'-bipyridine]]-5-yl]-2-fluorocyclopropane-1-carboxamideSCHEMBL16342532SEGFWFQHVPYNMS-QUCCMNQESA-NBDBM50543383(1s,2s)-N-(2'-(6-(tert-butyl)-8-fluoro-1-oxophthalazin-2(1H)-yl)-3'-(hydroxymethyl)-1-methyl-6-oxo-1(1S,2S)-N-[5-[2-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-3-(hydroxymethyl)-4-pyridyl]-1-methyl-2-oxo-3-pyridyl]-2-fluoro-cyclopropanecarboxamideV1G
데이터베이스 식별자
- PubChem CID
- 90646107
- ChEMBL
CHEMBL4634904
물성
구조 계산 물성보충 중
- XLogP
- 2.1
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,120
관련 반응
1건
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