기본 정보
- 표준 SMILES
Cc1ccccc1N1CCN(S(=O)(=O)CC23CCC(CC2=O)C3(C)C)CC1- InChIKey
TZHZUCUJVSBWEW-UHFFFAOYSA-N- 분자식
- C21H30N2O3S
- 평균 분자량
- 390.5 g/mol
이름 및 식별자
- 우선 이름
- 7,7-Dimethyl-1-(4-o-tolyl-piperazine-1-sulfonylmethyl)-bicyclo[2.2.1]heptan-2-one
- IUPAC
- 7,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one
이름 및 동의어
7,7-Dimethyl-1-(4-o-tolyl-piperazine-1-sulfonylmethyl)-bicyclo[2.2.1]heptan-2-one161972-24-3TZHZUCUJVSBWEW-UHFFFAOYSA-NMLS001208935SCHEMBL7279111CHEMBL1382885HMS2830K22AKOS000601009AKOS0163244347,7-dimethyl-1-[[4-(2-methylphenyl)piperazin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-oneSMR000524798ST50291457
이름 더 보기
AP-263/43241301SR-01000304405SR-01000304405-1BRD-A53071993-001-07-8Z2278824521-((7,7-Dimethyl-2-oxo-bicyclo(2.2.1)heptan-1-yl)methanesulfonyl)-4-(2-methylphenyl )piperazine1-((7,7-Dimethyl-2-oxo-bicyclo(2.2.1)heptan-1-yl)methanesulfonyl)-4-(2-methylphenyl)piperazine7,7-dimethyl-1-({[4-(2-methylphenyl)-1-piperazinyl]sulfonyl}methyl)bicyclo[2.2.1]heptan-2-one
데이터베이스 식별자
- PubChem CID
- 2990213
- ChEMBL
CHEMBL1382885
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 66.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 691
관련 반응
2건
화합물 노트
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