기본 정보
- CAS
324031-72-3- 표준 SMILES
CCOc1cc(Br)cc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c1O- InChIKey
PEOMLICSCKXIDT-UHFFFAOYSA-N- 분자식
- C31H31BrN4O4
- 평균 분자량
- 603.5 g/mol
- 단동위원소 질량
- 602.15287
이름 및 식별자
- 우선 이름
- 4-[(5-Bromo-3-ethoxy-2-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- IUPAC
- 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one
- 영어명
- 4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C31H31BrN4O4
- 분자량
- 603.50624
이름 및 동의어
4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one4-[(5-bromo-3-ethoxy-2-hydroxyphenyl)(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-oneChemDiv1_019437HMS642D11AKOS000361117AG-690/34468003SR-01000400146SR-01000400146-1324031-72-34,4'-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one)
데이터베이스 식별자
- CAS
324031-72-3- PubChem CID
- 2841699
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 76.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 970
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…