기본 정보
- CAS
459795-74-5- 표준 SMILES
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1c(O)c2cccc3c2n(c1=O)CC3- InChIKey
PATYZDYDARAFJE-UHFFFAOYSA-N- 분자식
- C25H25N3O3S
- 평균 분자량
- 447.6 g/mol
- 단동위원소 질량
- 447.16166284
이름 및 식별자
- 우선 이름
- N-(4-((3r,5r,7r)-adamantan-1-yl)thiazol-2-yl)-6-hydroxy-4-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
- IUPAC
- N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
- 영어명
- N-(4-(adamantan-1-yl)thiazol-2-yl)-6-hydroxy-4-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
- 분자식
- C25H25N3O3S
- 분자량
- 447.55
이름 및 동의어
ChemDiv1_016707HMS634H09CCG-34706STK560761AKOS000626155AKOS005486432ST50273671SR-01000589128SR-01000589128-1BRD-K25323266-001-01-96-hydroxy-4-oxo-N-[(2E)-4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-1,3-thiazol-2(3H)-ylidene]-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxamideN-(4-((3r,5r,7r)-adamantan-1-yl)thiazol-2-yl)-6-hydroxy-4-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide
이름 더 보기
N-(4-(adamantan-1-yl)thiazol-2-yl)-6-hydroxy-4-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide4H-Pyrrolo[3,2,1-ij]quinoline-5-carboxamide, 1,2-dihydro-6-hydroxy-4-oxo-N-(4-tricyclo[3.3.1.13,7]dec-1-yl-2-thiazolyl)-
N-[4-(1-ADAMANTYL)-1,3-THIAZOL-2-YL]-6-HYDROXY-4-OXO-1,2-DIHYDRO-4H-PYRROLO[3,2,1-IJ]QUINOLINE-5-CARBOXAMIDEN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-9-hydroxy-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 846
물리화학적 성질
- 녹는점
- 263 · 263-265 °C(Solv: N,N-dimethylformamide (68-12-2))
- 밀도
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
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