Ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
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기본 정보
- CAS
112080-29-2- 표준 SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1C(F)(F)F- InChIKey
GHZGHHLJVPVHAJ-UHFFFAOYSA-N- 분자식
- C15H15F3N2O3
- 평균 분자량
- 328.29 g/mol
- 단동위원소 질량
- 328.10347683
이름 및 식별자
- 우선 이름
- Ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- IUPAC
- ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- 분자식
- C15H15F3N2O3
- 분자량
- 328.29
이름 및 동의어
112080-29-2ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateethyl 6-methyl-2-oxo-4-(2-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylateNSC717157ethyl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylateCCG-25995MFCD00393836STK369895AKOS000518596AKOS016038017NSC-717157ST000457
이름 더 보기
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-, ethyl ester
ZINC000000027691ZINC000000027692AE-842/34020059SR-01000530793SR-01000530793-1Z47751442CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2C(F)(F)F)Cethyl 4-methyl-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3,6-trihydropyrimidine-5- carboxylate
데이터베이스 식별자
- CAS
112080-29-2- PubChem CID
- 402867
- Nikkaji
- J1.196.703E
물성
구조 계산 물성보충 중
- XLogP
- 2.3
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 517
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