6-Amino-4-{2-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
기본 정보
- CAS
421573-68-4- 표준 SMILES
COc1cccc(C2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1ccc(Br)cc1- InChIKey
NCTVPXVCWWGHJA-UHFFFAOYSA-N- 분자식
- C22H19BrN4O3
- 평균 분자량
- 467.3 g/mol
이름 및 식별자
- 우선 이름
- 6-Amino-4-{2-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- IUPAC
- 6-amino-4-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 영어명
- 6-amino-4-{2-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
- 분자식
- C22H19BrN4O3
- 분자량
- 467.32
이름 및 동의어
6-amino-4-{2-[(4-bromobenzyl)oxy]-3-methoxyphenyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile421573-68-46-amino-4-(2-((4-bromobenzyl)oxy)-3-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileChemDiv1_009177HMS613B03STK061373AKOS001647079AKOS0219969526-amino-4-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileAP-964/40915305SR-01000485273SR-01000485273-1
이름 더 보기
Pyrano[2,3-c]pyrazole-5-carbonitrile, 6-amino-4-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]-1,4-dihydro-3-methyl-
6-AMINO-4-{2-[(4-BROMOPHENYL)METHOXY]-3-METHOXYPHENYL}-3-METHYL-1H,4H-PYRANO[2,3-C]PYRAZOLE-5-CARBONITRILE
데이터베이스 식별자
- CAS
421573-68-4
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 106 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 687
물리화학적 성질
- 끓는 점
- 676.9 · 676.9±55.0 °C(Predicted)
- 밀도
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.55 · 11.55±0.70(Predicted)
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