기본 정보
- CAS
303151-92-0- 표준 SMILES
Cn1c(NC(=O)NNc2ncc(C(F)(F)F)cc2Cl)cnc1Sc1ncc(C(F)(F)F)cc1Cl- InChIKey
WFVVZDCIWGTJML-UHFFFAOYSA-N- 분자식
- C17H11Cl2F6N7OS
- 평균 분자량
- 546.3 g/mol
- 단동위원소 질량
- 545.0027035
이름 및 식별자
- 우선 이름
- 1-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methylimidazol-4-yl]urea
- IUPAC
- 1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-3-methylimidazol-4-yl]urea
- 영어명
- 2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-N-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)-1-METHYL-1H-IMIDAZOL-5-YL)-1-HYDRAZINECARBOXAMIDE
- 분자식
- C17H11Cl2F6N7OS
- 분자량
- 546.28
이름 및 동의어
303151-92-01-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-3-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl-3-methylimidazol-4-yl]urea1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-1-methyl-1H-imidazol-5-yl)urea2-(3-Chloro-5-(trifluoromethyl)-2-pyridinyl)-N-(2-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)sulfanyl)-1-methyl-1H-imidazol-5-yl)hydrazinecarboxamideAKOS00507757911H-0232-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-1-methyl-1H-imidazol-5-yl)hydrazine-1-carboxamideHydrazinecarboxamide, 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-1-methyl-1H-imidazol-5-yl]-2-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-N-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]SULFANYL)-1-METHYL-1H-IMIDAZOL-5-YL)-1-HYDRAZINECARBOXAMIDE
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 122 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 708
물리화학적 성질
- 밀도
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.78 · 9.78±0.43(Predicted)
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