ethyl 2-{4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
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기본 정보
- CAS
860789-12-4- 표준 SMILES
CCOC(=O)Cn1nc(C)n(N(C)c2ncc(C(F)(F)F)cc2Cl)c1=O- InChIKey
YUNKVDKRQPRUEF-UHFFFAOYSA-N- 분자식
- C14H15ClF3N5O3
- 평균 분자량
- 393.75 g/mol
- 단동위원소 질량
- 393.0815515
이름 및 식별자
- 우선 이름
- ethyl 2-{4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate
- IUPAC
- ethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetate
- 영어명
- ETHYL 2-(4-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL)ACETATE
- 분자식
- C14H15ClF3N5O3
- 분자량
- 393.75
이름 및 동의어
860789-12-4ethyl 2-{4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl](methyl)amino]-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetateethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetateethyl 2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-methylamino]-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetateEthyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)(methyl)amino)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetateAKOS0050839201W-0226ethyl2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetateETHYL 2-(4-[[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL](METHYL)AMINO]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-1-YL)ACETATE1H-1,2,4-Triazole-1-acetic acid, 4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-4,5-dihydro-3-methyl-5-oxo-, ethyl ester
데이터베이스 식별자
- CAS
860789-12-4- PubChem CID
- 3724125
물성
구조 계산 물성보충 중
- XLogP
- 2.6
- 극성 표면적
- 78.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 589
물리화학적 성질
- 끓는 점
- 419.6 · 419.6±55.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.72 · 1.72±0.10(Predicted)
관련 반응
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