기본 정보
- CAS
338773-03-8- 표준 SMILES
N#Cc1cn(-c2cc(C(F)(F)F)ccc2N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(=O)[nH]c1=O- InChIKey
WXZBWMNVBIGALV-UHFFFAOYSA-N- 분자식
- C22H15ClF6N6O2
- 평균 분자량
- 544.8 g/mol
- 단동위원소 질량
- 544.0849204
이름 및 식별자
- 우선 이름
- 1-[2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-(trifluoromethyl)phenyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
- IUPAC
- 1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-2,4-dioxopyrimidine-5-carbonitrile
- 영어명
- 1-[2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-5-(TRIFLUOROMETHYL)PHENYL]-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE
- 분자식
- C22H15ClF6N6O2
- 분자량
- 544.84
이름 및 동의어
338773-03-81-[2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-5-(trifluoromethyl)phenyl]-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile1-(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile1-[2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-2,4-dioxopyrimidine-5-carbonitrile1-(2-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-5-(trifluoromethyl)phenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrileAKOS0050853092J-9551-[2-(4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)-5-(TRIFLUOROMETHYL)PHENYL]-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBONITRILE5-Pyrimidinecarbonitrile, 1-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-2,4-dioxo-
데이터베이스 식별자
- CAS
338773-03-8
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 92.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 973
물리화학적 성질
- 밀도
- 1 · 1+-.0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.83 · 6.83±0.10(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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