기본 정보
- CAS
303033-71-8- 표준 SMILES
CCOC(=O)c1c(NC(=O)CC2Sc3ccc(C(F)(F)F)cc3NC2=O)sc(C)c1C- InChIKey
NTYUSFDHFJNKEC-UHFFFAOYSA-N- 분자식
- C20H19F3N2O4S2
- 평균 분자량
- 472.5 g/mol
- 단동위원소 질량
- 472.07383392
이름 및 식별자
- 우선 이름
- ethyl 4,5-dimethyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)thiophene-3-carboxylate
- IUPAC
- ethyl 4,5-dimethyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylate
- 영어명
- ethyl 4,5-dimethyl-2-(2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamido)thiophene-3-carboxylate
- 분자식
- C20H19F3N2O4S2
- 분자량
- 472.5
이름 및 동의어
303033-71-8ethyl 4,5-dimethyl-2-({[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetyl}amino)thiophene-3-carboxylateethyl 4,5-dimethyl-2-{2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]acetamido}thiophene-3-carboxylateSMR000236502CBMicro_024639MLS000723348CHEMBL1447074HMS2576I08CCG-14070STL020229AKOS001644261AKOS016318971
이름 더 보기
ETHYL 4,5-DIMETHYL-2-({[3-OXO-6-(TRIFLUOROMETHYL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-2-YL]ACETYL}AMINO)-3-THIOPHENECARBOXYLATE3-Thiophenecarboxylic acid, 2-[[2-[3,4-dihydro-3-oxo-6-(trifluoromethyl)-2H-1,4-benzothiazin-2-yl]acetyl]amino]-4,5-dimethyl-, ethyl ester
NCGC00282455-01ethyl 4,5-dimethyl-2-(2-(3-oxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[b][1,4]thiazin-2-yl)acetamido)thiophene-3-carboxylateethyl 4,5-dimethyl-2-[[2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]thiophene-3-carboxylateST014822BIM-0024536.P001EU-0042116AB00541769-06SR-01000467343
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 708
물리화학적 성질
- 끓는 점
- 635.4 · 635.4±55.0 °C(Predicted)
- 밀도
- 1.403 · 1.403±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.76 · 11.76±0.40(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
화학 및 산업
공급사3 곳
관련 반응
0건
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