기본 정보
- CAS
725707-28-8- 표준 SMILES
CCOC(=O)c1c(NC(=O)CSc2nnc(C)o2)sc(C)c1C- InChIKey
SAMFEKNHPPWCBD-UHFFFAOYSA-N- 분자식
- C14H17N3O4S2
- 평균 분자량
- 355.4 g/mol
- 단동위원소 질량
- 355.06604838
이름 및 식별자
- 우선 이름
- Ethyl 4,5-dimethyl-2-({[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
- 영어명
- ethyl 4,5-dimethyl-2-({[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate
- 분자식
- C14H17N3O4S2
- 분자량
- 355.43
이름 및 동의어
ethyl 4,5-dimethyl-2-({[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylateCBKinase1_010304CBKinase1_022704MLS000684096CHEMBL1511186HMS2743O08STK208675AKOS005416599ethyl 4,5-dimethyl-2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylateSMR000295731AP-853/42941647SR-01000289899
이름 더 보기
3-Thiophenecarboxylic acid, 4,5-dimethyl-2-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl]amino]-, ethyl ester
SR-01000289899-1BRD-K44419779-001-01-2725707-28-8ethyl 4,5-dimethyl-2-({[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl}amino)thiophene-3-carboxylateethyl 4,5-dimethyl-2-({[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}amino)-3-thiophenecarboxylateethyl 4,5-dimethyl-2-(2-((5-methyl-1,3,4-oxadiazol-2-yl)thio)acetamido)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
725707-28-8
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 148 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 440
물리화학적 성질
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.95 · 11.95±0.70(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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