기본 정보
- CAS
309737-05-1- 표준 SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)c(=O)n2C1c1ccccc1Cl- InChIKey
ZORRGGKEHBGHGO-UCQKPKSFSA-N- 분자식
- C28H22ClN3O7S
- 평균 분자량
- 580 g/mol
- 단동위원소 질량
- 579.0866989
이름 및 식별자
- 우선 이름
- Ethyl (2Z)-5-(2-chlorophenyl)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-YL]methylidene}-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxylate
- IUPAC
- ethyl (2Z)-5-(2-chlorophenyl)-2-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 영어명
- ethyl 5-(2-chlorophenyl)-2-[(5-{4-nitro-2-methoxyphenyl}-2-furyl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- 분자식
- C28H22ClN3O7S
- 분자량
- 580.00818
이름 및 동의어
ethyl (2Z)-5-(2-chlorophenyl)-2-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateethyl 5-(2-chlorophenyl)-2-[(5-{4-nitro-2-methoxyphenyl}-2-furyl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateETHYL (2Z)-5-(2-CHLOROPHENYL)-2-{[5-(2-METHOXY-4-NITROPHENYL)FURAN-2-YL]METHYLIDENE}-7-METHYL-3-OXO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATESTK676198AKOS000595401AKOS022015966ST4052871ST45332772AG-690/11839530SR-01000528167SR-01000528167-1ethyl (2Z)-5-(2-chlorophenyl)-2-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
309737-05-1- PubChem CID
- 5291118
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 152 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,120
화학 및 산업
공급사1 곳
SPECS[email protected]
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