기본 정보
- CAS
376358-26-8- 표준 SMILES
CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1- InChIKey
CVDYFIAXWFUOFN-UHFFFAOYSA-N- 분자식
- C21H20N4O3S
- 평균 분자량
- 408.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 6-methyl-2-oxo-4-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- IUPAC
- ethyl 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
- 영어명
- ethyl 6-methyl-2-oxo-4-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
- 분자식
- C21H20N4O3S
- 분자량
- 408.47
이름 및 동의어
376358-26-8ethyl 6-methyl-2-oxo-4-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylateethyl 6-methyl-2-oxo-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydropyrimidine-5-carboxylateSMR000108075ChemDiv1_009903MLS000112159MLS002540840CHEMBL1371071HMS615C03HMS2495I06STK876811AKOS001018614
이름 더 보기
5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-, ethyl ester
AKOS016291111ethyl 6-methyl-2-oxo-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylateUPCMLD0ENAT0504-2647:001EU-0044716SR-01000491476SR-01000491476-1Z56792851F1260-0876
데이터베이스 식별자
- CAS
376358-26-8- ChEMBL
CHEMBL1371071
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 664
화학 및 산업
공급사4 곳
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