6-Amino-4-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
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기본 정보
- CAS
364623-93-8- 표준 SMILES
COc1cc(C2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc(Br)c1OCc1ccc(F)cc1- InChIKey
YUKWGGABJLODLU-UHFFFAOYSA-N- 분자식
- C22H18BrFN4O3
- 평균 분자량
- 485.3 g/mol
- 단동위원소 질량
- 484.05463
이름 및 식별자
- 우선 이름
- 6-Amino-4-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 영어명
- 6-amino-4-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 분자식
- C22H18BrFN4O3
- 분자량
- 485.31
이름 및 동의어
6-amino-4-{3-bromo-4-[(4-fluorobenzyl)oxy]-5-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileChemDiv1_009263HMS613F01CCG-19808MFCD02631332STK050466AKOS001646927AKOS0219969426-amino-4-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileZINC000000646885ZINC000000646886AP-964/40915280
이름 더 보기
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]-1,4-dihydro-3-methyl-
SR-01000485261SR-01000485261-1N#CC1=C(N)Oc2c(C1c1cc(Br)c(c(c1)OC)OCc1ccc(cc1)F)c(C)n(nH)2CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)F)OC6AMINO4(3BROMO4((4FLUOROBENZYL)OXY)5METHOXYPHENYL)3METHYL14DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE6AMINO4(3BROMO4((4FLUOROBENZYL)OXY)5METHOXYPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE6AMINO4(3BROMO4((4FLUOROPHENYL)METHOXY)5METHOXYPHENYL)3METHYL24DIHYDROPYRANO(23C)PYRAZOLE5CARBONITRILE
물성
구조 계산 물성보충 중
- XLogP
- 4.5
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 723
물리화학적 성질
- 끓는 점
- 670.7 · 670.7±55.0 °C(Predicted)
- 밀도
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.46 · 11.46±0.70(Predicted)
관련 반응
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