1-[(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)sulfonyl]-4-phenylpiperazine
기본 정보
- CAS
344277-92-5- 표준 SMILES
O=S(=O)(c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)N1CCN(c2ccccc2)CC1- InChIKey
UXPHPTHLOCVTKP-UHFFFAOYSA-N- 분자식
- C22H19ClF3N3O3S
- 평균 분자량
- 497.9 g/mol
이름 및 식별자
- 우선 이름
- 1-[(4-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)sulfonyl]-4-phenylpiperazine
- IUPAC
- 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfonyl-4-phenylpiperazine
- 영어명
- 1-[(4-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)phenyl)sulfonyl]-4-phenylpiperazine
- 분자식
- C22H19ClF3N3O3S
- 분자량
- 497.92
이름 및 동의어
344277-92-51-[(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}phenyl)sulfonyl]-4-phenylpiperazine1-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl)-4-phenylpiperazine1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]sulfonyl-4-phenylpiperazineAKOS0050982397J-0043-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL 4-[(4-PHENYLPIPERAZINO)SULFONYL]PHENYL ETHER1-[(4-([3-Chloro-5-(trifluoromethyl)-2-pyridinyl]oxy)phenyl)sulfonyl]-4-phenylpiperazinePiperazine, 1-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfonyl]-4-phenyl-
데이터베이스 식별자
- CAS
344277-92-5
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 71.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 729
물리화학적 성질
- 끓는 점
- 569.2 · 569.2±60.0 °C(Predicted)
- 밀도
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.85 · 4.85±0.40(Predicted)
관련 반응
0건
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