2-methoxyethyl (2Z)-2-(2-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
기본 정보
- CAS
6237-86-1- 표준 SMILES
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2C1c1ccc(OC)cc1- InChIKey
DDXXQVYZCUXYAT-ZHZULCJRSA-N- 분자식
- C25H23ClN2O5S
- 평균 분자량
- 499 g/mol
- 단동위원소 질량
- 498.1016207
이름 및 식별자
- 우선 이름
- 2-methoxyethyl (2Z)-2-(2-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- 2-methoxyethyl (2Z)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
이름 및 동의어
2-methoxyethyl (2Z)-2-(2-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate6237-86-1372976-39-1AC1NT8X8DTXSID60417599SMSF0018313STK820889AKOS005177888CB041222-methoxyethyl (2Z)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateBIM-0002448.P001(Z)-2-methoxyethyl 2-(2-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
이름 더 보기
2-Methoxyethyl (2Z)-2-[(2-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate2-methoxyethyl 2-(2-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
6237-86-1
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 881
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