1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)sulfonyl]piperazine
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기본 정보
- CAS
303150-45-0- 표준 SMILES
O=S(=O)(c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1- InChIKey
KDRYCZVTLJMQFA-UHFFFAOYSA-N- 분자식
- C21H16Cl2F6N4O2S2
- 평균 분자량
- 605.4 g/mol
- 단동위원소 질량
- 603.9995925
이름 및 식별자
- 우선 이름
- 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)sulfonyl]piperazine
- IUPAC
- 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]sulfonylpiperazine
- 영어명
- 1-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-[(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)SULFONYL]PIPERAZINE
- 분자식
- C21H16Cl2F6N4O2S2
- 분자량
- 605.4
이름 및 동의어
303150-45-01-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)sulfonyl]piperazine1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)sulfonyl]piperazine1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]sulfonylpiperazineAKOS00507730111G-0301-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-4-[(5-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHYL)-2-THIENYL)SULFONYL]PIPERAZINEPiperazine, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2-thienyl]sulfonyl]-
데이터베이스 식별자
- CAS
303150-45-0- PubChem CID
- 2766928
물성
구조 계산 물성보충 중
- XLogP
- 5.9
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 886
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