기본 정보
- CAS
514838-04-1- 표준 SMILES
CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1c(-c2ccccc2)noc1C- InChIKey
KBNONRQAUVADHH-UHFFFAOYSA-N- 분자식
- C25H22N2O4S
- 평균 분자량
- 446.5 g/mol
- 단동위원소 질량
- 446.13002836
이름 및 식별자
- 우선 이름
- Ethyl 4-(3-methylphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
- IUPAC
- ethyl 4-(3-methylphenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylate
- 영어명
- ethyl 4-(3-methylphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylate
- 분자식
- C25H22N2O4S
- 분자량
- 446.51818
이름 및 동의어
ethyl 4-(3-methylphenyl)-2-{[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino}-3-thiophenecarboxylateMLS000544615CHEMBL1320641HMS2307E11KUC105670NKUC112965NSTK452127AKOS003289162KSC-15-060ethyl 4-(3-methylphenyl)-2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-3-carboxylateKSC-343-10-1SMR000159555
이름 더 보기
MLS000544615-02ST50931268AK-968/15609535ethyl 4-(3-methylphenyl)-2-[(5-methyl-3-phenylisoxazol-4-yl)carbonylamino]thio phene-3-carboxylateethyl 4-(3-methylphenyl)-2-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}thiophene-3-carboxylate
데이터베이스 식별자
- CAS
514838-04-1- PubChem CID
- 1748344
- ChEMBL
CHEMBL1320641
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 656
화학 및 산업
공급사1 곳
SPECS[email protected]
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