N~1~-(2-fluorophenethyl)-2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
기본 정보
- CAS
853896-79-4- 표준 SMILES
Cc1c(CC(=O)NCCc2ccccc2F)c(=O)oc2c(C)c(O)ccc12- InChIKey
CAVWHUGEFLITNO-UHFFFAOYSA-N- 분자식
- C21H20FNO4
- 평균 분자량
- 369.4 g/mol
이름 및 식별자
- 우선 이름
- N~1~-(2-fluorophenethyl)-2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide
- IUPAC
- N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
- 영어명
- N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
- 분자식
- C21H20FNO4
- 분자량
- 369.39
이름 및 동의어
N~1~-(2-fluorophenethyl)-2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamide853896-79-4N-(2-fluorophenethyl)-2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamideN-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetamideSTK713349AKOS002306864N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamideST50327858N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetam ide2H-1-Benzopyran-3-acetamide, N-[2-(2-fluorophenyl)ethyl]-7-hydroxy-4,8-dimethyl-2-oxo-
데이터베이스 식별자
- CAS
853896-79-4
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 605
물리화학적 성질
- 끓는 점
- 628.7 · 628.7±55.0 °C(Predicted)
- 밀도
- 1.277 · 1.277±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.27 · 8.27±0.20(Predicted)
관련 반응
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