기본 정보
- CAS
300717-12-8- 표준 SMILES
O=C(N1N=C(c2c(-c3ccccc3)c3cc(Br)ccc3[nH]c2=O)CC1c1ccccc1)C12CC3CC(CC(C3)C1)C2- InChIKey
JRRQACYRSBMVRM-UHFFFAOYSA-N- 분자식
- C35H32BrN3O2
- 평균 분자량
- 606.5 g/mol
이름 및 식별자
- 우선 이름
- 3-(1-((3r,5r,7r)-adamantane-1-carbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-6-bromo-4-phenylquinolin-2(1H)-one
- IUPAC
- 3-[2-(adamantane-1-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one
- 영어명
- 3-[1-(1-adamantylcarbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-2(1H)-quinolinone
- 분자식
- C35H32BrN3O2
- 분자량
- 606.55
이름 및 동의어
3-(1-((3r,5r,7r)-adamantane-1-carbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-6-bromo-4-phenylquinolin-2(1H)-oneSTK562850ZINC06446791AKOS001568209AKOS005488495AKOS016882018AG-690/33777030SR-01000392537SR-01000392537-1Z571110673-[1-(Adamantane-1-carbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phe[3-(6-bromo-2-hydroxy-4-phenylquinolin-3-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone
이름 더 보기
2(1H)-Quinolinone, 6-bromo-3-[4,5-dihydro-5-phenyl-1-(tricyclo[3.3.1.13,7]dec-1-ylcarbonyl)-1H-pyrazol-3-yl]-4-phenyl-
3-[1-(1-adamantylcarbonyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]-6-bromo-4-phenyl-2(1H)-quinolinone3-[1-(ADAMANTANE-1-CARBONYL)-5-PHENYL-4,5-DIHYDRO-1H-PYRAZOL-3-YL]-6-BROMO-4-PHENYL-1,2-DIHYDROQUINOLIN-2-ONE3-[2-(adamantane-1-carbonyl)-3-phenyl-3,4-dihydropyrazol-5-yl]-6-bromo-4-phenyl-1H-quinolin-2-one
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 61.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,090
물리화학적 성질
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.43 · 9.43±0.70(Predicted)
화학 및 산업
공급사2 곳
PHARMEKS Ltd.[email protected]
SPECS[email protected]
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