기본 정보
- CAS
338392-15-7- 표준 SMILES
CCOC(=O)Cc1ncccc1C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1- InChIKey
HPCOQFNSTWTHHP-UHFFFAOYSA-N- 분자식
- C22H17ClF3N3O4
- 평균 분자량
- 479.8 g/mol
- 단동위원소 질량
- 479.0859682
이름 및 식별자
- 우선 이름
- Ethyl 2-[3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]pyridin-2-yl]acetate
- IUPAC
- ethyl 2-[3-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2-pyridinyl]acetate
- 영어명
- Ethyl 2-(3-[(4-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)anilino)carbonyl]-2-pyridinyl)acetate
- 분자식
- C22H17ClF3N3O4
- 분자량
- 479.84
이름 및 동의어
338392-15-7Ethyl 2-[3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]pyridin-2-yl]acetateethyl 2-{3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]pyridin-2-yl}acetateethyl 2-{3-[(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)carbonyl]-2-pyridinyl}acetateDTXSID901113972AKOS0050831131M-912Ethyl {3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]pyridin-2-yl}acetateEthyl 3-[[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-2-pyridineacetateethyl2-{3-[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)carbamoyl]pyridin-2-yl}acetateEthyl 2-(3-[(4-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)anilino)carbonyl]-2-pyridinyl)acetate2-Pyridineacetic acid, 3-[[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]amino]carbonyl]-, ethyl ester
데이터베이스 식별자
- CAS
338392-15-7- PubChem CID
- 1490626
- DTXSID
DTXSID901113972
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 90.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 661
물리화학적 성질
- 끓는 점
- 485.3 · 485.3±45.0 °C(Predicted)
- 밀도
- 1.41 · 1.410±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.09 · 11.09±0.70(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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