기본 정보
- CAS
444151-75-1- 표준 SMILES
CCc1c(C(C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1- InChIKey
MSPAHMDPWLHWAC-UHFFFAOYSA-N- 분자식
- C30H31ClF3N5O3S
- 평균 분자량
- 634.1 g/mol
이름 및 식별자
- 우선 이름
- 1-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-5-ethyl-4-{1-[(4-methylphenyl)sulfonyl]ethyl}-1,3-dihydro-2H-imidazol-2-one
- IUPAC
- 3-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]-4-ethyl-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-one
- 영어명
- 1-(4-(4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)phenyl)-5-ethyl-4-(1-[(4-methylphenyl)sulfonyl]ethyl)-1,3-dihydro-2H-imidazol-2-one
- 분자식
- C30H31ClF3N5O3S
- 분자량
- 634.11
이름 및 동의어
444151-75-11-(4-{4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}phenyl)-5-ethyl-4-{1-[(4-methylphenyl)sulfonyl]ethyl}-1,3-dihydro-2H-imidazol-2-one1-(4-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}phenyl)-5-ethyl-4-[1-(4-methylbenzenesulfonyl)ethyl]-2,3-dihydro-1H-imidazol-2-one3-[4-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]phenyl]-4-ethyl-5-[1-(4-methylphenyl)sulfonylethyl]-1H-imidazol-2-oneAKOS00507550010R-02671-(4-(4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino)phenyl)-5-ethyl-4-(1-[(4-methylphenyl)sulfonyl]ethyl)-1,3-dihydro-2H-imidazol-2-one2H-Imidazol-2-one, 1-[4-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]phenyl]-5-ethyl-1,3-dihydro-4-[1-[(4-methylphenyl)sulfonyl]ethyl]-
데이터베이스 식별자
- CAS
444151-75-1
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 94.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,120
물리화학적 성질
- 밀도
- 1.356 · 1.356±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.28 · 11.28±0.70(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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