기본 정보
- CAS
957487-05-7- 표준 SMILES
COc1ccc(/C=C/C(=O)Nc2ccc(Cn3nc(C)cc3C)cc2)cc1COc1ccc(Cl)cc1- InChIKey
WWNOMWRWCFGHNV-VIZOYTHASA-N- 분자식
- C29H28ClN3O3
- 평균 분자량
- 502 g/mol
이름 및 식별자
- 우선 이름
- (E)-3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enamide
- IUPAC
- (E)-3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enamide
- 영어명
- 3-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}acrylamide
- 분자식
- C29H28ClN3O3
- 분자량
- 502
이름 및 동의어
(E)-3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enamide3-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}acrylamideAK-968/41923070STK302545AKOS003999430(2E)-3-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}-N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}prop-2-enamide(E)-3-{3-[(4-CHLOROPHENOXY)METHYL]-4-METHOXYPHENYL}-N-{4-[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]PHENYL}-2-PROPENAMIDE957487-05-72-Propenamide, 3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-N-[4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl]-, (2E)-
데이터베이스 식별자
- CAS
957487-05-7
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 65.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 706
물리화학적 성질
- 끓는 점
- 720.1 · 720.1±60.0 °C(Predicted)
- 밀도
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.94 · 12.94±0.70(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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