기본 정보
- CAS
309740-59-8- 표준 SMILES
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1- InChIKey
NVJAHKFPABGDEW-UHFFFAOYSA-N- 분자식
- C16H20N2O4
- 평균 분자량
- 304.34 g/mol
이름 및 식별자
- 우선 이름
- Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-, ethyl ester
- IUPAC
- ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
- 영어명
- ethyl 1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- 분자식
- C16H20N2O4
- 분자량
- 304.34
이름 및 동의어
Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-, ethyl esterMLS000078879NVJAHKFPABGDEW-UHFFFAOYSA-NOprea1_733648CHEMBL1577619HMS2446B21AKOS001743768ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylateSMR000036165ST033428EU-0052528AG-205/14672047
이름 더 보기
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-, ethyl ester
SR-01000530107SR-01000530107-1ethyl 3-(2-hydroxyethyl)-4-methyl-2-oxo-6-phenyl-1,3,6-trihydropyrimidine-5-ca rboxylateEthyl 1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateEthyl 1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #ethyl 1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
데이터베이스 식별자
- CAS
309740-59-8- ChEMBL
CHEMBL1577619
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 78.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 455
물리화학적 성질
- 끓는 점
- 532.1 · 532.1±50.0 °C(Predicted)
- 밀도
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.03 · 11.03±0.70(Predicted)
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…