기본 정보
- CAS
95217-29-1- 표준 SMILES
COc1ccccc1N1CCN(CCc2oc(=O)oc2-c2ccc(F)cc2)CC1.Cl.Cl- InChIKey
CHRSGMSEDZAAAH-UHFFFAOYSA-N- 분자식
- C22H25Cl2FN2O4
- 평균 분자량
- 471.3 g/mol
- 단동위원소 질량
- 470.1175408
이름 및 식별자
- 우선 이름
- 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochloride
- IUPAC
- 4-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one;dihydrochloride
이름 및 동의어
95217-29-11,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-, dihydrochlorideDTXSID502417894-(4-Fluorophenyl)-5-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,3-dioxol-2-one 2HClRefChem:218883DTXCID301642804-(4-fluorophenyl)-5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one dihydrochlorideSCHEMBL11471950CHRSGMSEDZAAAH-UHFFFAOYSA-N4-(4-fluorophenyl)-5-[2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochloride4-(4-Fluorophenyl)-5-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-2H-1,3-dioxol-2-one--hydrogen chloride (1/2)
데이터베이스 식별자
- CAS
95217-29-1- PubChem CID
- 56880
- DTXSID
DTXSID50241789
물성
구조 계산 물성
- 극성 표면적
- 51.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 598
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