기본 정보
- CAS
514816-39-8- 표준 SMILES
COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1c(F)c(F)c(F)c(F)c1F- InChIKey
UWGNBDWBDQMFIM-UHFFFAOYSA-N- 분자식
- C26H21F5N2O4
- 평균 분자량
- 520.4 g/mol
이름 및 식별자
- 우선 이름
- 2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- 영어명
- 2-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- 분자식
- C26H21F5N2O4
- 분자량
- 520.447956
이름 및 동의어
2-amino-4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile2-amino-4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrileAK-968/41925542STL173035AKOS003794117ST0336092-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-7,7-dimet hyl-5-oxo-4H-6,7,8-trihydrochromene-3-carbonitrile2-AMINO-4-{4-METHOXY-3-[(2,3,4,5,6-PENTAFLUOROPHENOXY)METHYL]PHENYL}-7,7-DIMETHYL-5-OXO-5,6,7,8-TETRAHYDRO-4H-CHROMEN-3-YL CYANIDE2-amino-4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile514816-39-8
데이터베이스 식별자
- CAS
514816-39-8
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 94.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,010
화학 및 산업
공급사1 곳
SPECS[email protected]
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