ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
기본 정보
- CAS
5818-88-2- 표준 SMILES
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2C1c1cc(OC)ccc1OC- InChIKey
OPCDOQDDUYBWEG-JVWAILMASA-N- 분자식
- C32H33N3O5S
- 평균 분자량
- 571.7 g/mol
- 단동위원소 질량
- 571.21409234
이름 및 식별자
- 우선 이름
- ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
이름 및 동의어
5818-88-2ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateethyl 5-(2,5-dimethoxyphenyl)-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateAC1NT2TXSCHEMBL13856445DTXSID90417148Ethyl (2E)-5-(2,5-dimethoxyphenyl)-2-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
5818-88-2- PubChem CID
- 5343614
- DTXSID
DTXSID90417148
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 1,100
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…