기본 정보
- CAS
321432-37-5- 표준 SMILES
O=C(NNC(=O)c1cccc(C(F)(F)F)c1)C1=NOC(CNc2ncc(C(F)(F)F)cc2Cl)C1- InChIKey
AFMBYBTXAIXBQL-UHFFFAOYSA-N- 분자식
- C19H14ClF6N5O3
- 평균 분자량
- 509.8 g/mol
- 단동위원소 질량
- 509.068936
이름 및 식별자
- 우선 이름
- 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-3-isoxazolecarbohydrazide
- IUPAC
- 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazide
- 영어명
- 5-(([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)METHYL)-N'-[3-(TRIFLUOROMETHYL)BENZOYL]-4,5-DIHYDRO-3-ISOXAZOLECARBOHYDRAZIDE
- 분자식
- C19H14ClF6N5O3
- 분자량
- 509.79
이름 및 동의어
321432-37-5N'-[5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazole-3-carbonyl]-3-(trifluoromethyl)benzohydrazide5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-3-isoxazolecarbohydrazide5-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-N'-[3-(trifluoromethyl)benzoyl]-4,5-dihydro-1,2-oxazole-3-carbohydrazideAKOS0050824881H-9665-(([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)METHYL)-N'-[3-(TRIFLUOROMETHYL)BENZOYL]-4,5-DIHYDRO-3-ISOXAZOLECARBOHYDRAZIDE3-Isoxazolecarboxylic acid, 5-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4,5-dihydro-, 2-[3-(trifluoromethyl)benzoyl]hydrazide
데이터베이스 식별자
- CAS
321432-37-5- PubChem CID
- 3559489
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 781
물리화학적 성질
- 밀도
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.82 · 7.82±0.40(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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