기본 정보
- CAS
825608-90-0- 표준 SMILES
Cc1c(Cl)cccc1N1CCN(S(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC1- InChIKey
VEJWGLJWBOKRQS-UHFFFAOYSA-N- 분자식
- C21H29ClN2O3S
- 평균 분자량
- 425 g/mol
이름 및 식별자
- 우선 이름
- 4-[[4-(3-Chloro-2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
- IUPAC
- 1-[[4-(3-chloro-2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
- 영어명
- 1-({[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
- 분자식
- C21H29ClN2O3S
- 분자량
- 424.98456
이름 및 동의어
1-({[4-(3-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-oneSTK781645AKOS0056194914-[[4-(3-chloro-2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-oneAP-263/43241363SR-01000302285SR-01000302285-11-({[4-(3-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one1-({[4-(3-CHLORO-2-METHYLPHENYL)PIPERAZINO]SULFONYL}METHYL)-7,7-DIMETHYLBICYCLO[2.2.1]HEPTAN-2-ONE1-[[4-(3-chloro-2-methylphenyl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one825608-90-0
데이터베이스 식별자
- CAS
825608-90-0
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 66.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 726
화학 및 산업
공급사1 곳
SPECS[email protected]
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