기본 정보
- CAS
338399-16-9- 표준 SMILES
CCOC(=O)C1=NOC(CNC(=O)C2=NOC(CNC(=O)c3c(-c4ccccc4Cl)noc3C)C2)C1- InChIKey
JGYBLEIUOMVEGQ-UHFFFAOYSA-N- 분자식
- C23H24ClN5O7
- 평균 분자량
- 517.9 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 5-{[({5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolyl}carbonyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylate
- IUPAC
- ethyl 5-[[[5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
- 영어명
- ETHYL 5-([((5-[(([3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBONYL)AMINO)METHYL]-4,5-DIHYDRO-3-ISOXAZOLYL)CARBONYL)AMINO]METHYL)-4,5-DIHYDRO-3-ISOXAZOLECARBOXYLATE
- 분자식
- C23H24ClN5O7
- 분자량
- 517.92
이름 및 동의어
338399-16-9ethyl 5-{[({5-[({[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)methyl]-4,5-dihydro-3-isoxazolyl}carbonyl)amino]methyl}-4,5-dihydro-3-isoxazolecarboxylateethyl 5-({[5-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methyl)-4,5-dihydro-1,2-oxazol-3-yl]formamido}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylateethyl 5-[[[5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylateSMR000170092MLS000325939CHEMBL1507015HMS2278B09AKOS0050850802H-904ethyl5-({[5-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}methyl)-4,5-dihydro-1,2-oxazol-3-yl]formamido}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylateETHYL 5-([((5-[(([3-(2-CHLOROPHENYL)-5-METHYL-4-ISOXAZOLYL]CARBONYL)AMINO)METHYL]-4,5-DIHYDRO-3-ISOXAZOLYL)CARBONYL)AMINO]METHYL)-4,5-DIHYDRO-3-ISOXAZOLECARBOXYLATE
이름 더 보기
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 900
물리화학적 성질
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.62 · 10.62±0.40(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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