ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methylquinolin-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
기본 정보
- CAS
309920-61-4- 표준 SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc4cc(C)ccc4n3)c(=O)n2C1c1ccc(N(C)C)cc1- InChIKey
NUXLLOLITFSSKL-LFVJCYFKSA-N- 분자식
- C29H28N4O3S
- 평균 분자량
- 512.6 g/mol
이름 및 식별자
- 우선 이름
- ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methylquinolin-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methylquinolin-2-yl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- ethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-2-quinolinyl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 분자식
- C29H28N4O3S
- 분자량
- 512.62262
이름 및 동의어
ethyl (2E)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methylquinolin-2-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateSTK762791AKOS001742922AKOS016068265AG-205/13764268SR-01000529671SR-01000529671-1ETHYL (2E)-5-[4-(DIMETHYLAMINO)PHENYL]-7-METHYL-2-[(6-METHYLQUINOLIN-2-YL)METHYLIDENE]-3-OXO-2H,3H,5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATEETHYL (2E)-5-[4-(DIMETHYLAMINO)PHENYL]-7-METHYL-2-[(6-METHYLQUINOLIN-2-YL)METHYLIDENE]-3-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATEethyl 5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-2-quinolinyl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
309920-61-4
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 997
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