기본 정보
- CAS
866019-57-0- 표준 SMILES
COc1ccc(CS(=O)(=O)CC2(O)CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1- InChIKey
KGYBBMBSFNZUCX-UHFFFAOYSA-N- 분자식
- C22H24F3NO5S
- 평균 분자량
- 471.5 g/mol
이름 및 식별자
- 우선 이름
- (4-Hydroxy-4-{[(4-methoxybenzyl)sulfonyl]methyl}piperidino)[3-(trifluoromethyl)phenyl]methanone
- IUPAC
- [4-hydroxy-4-[(4-methoxyphenyl)methylsulfonylmethyl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
- 영어명
- (4-Hydroxy-4-([(4-methoxybenzyl)sulfonyl]methyl)piperidino)[3-(trifluoromethyl)phenyl]methanone
- 분자식
- C22H24F3NO5S
- 분자량
- 471.49
이름 및 동의어
866019-57-0(4-hydroxy-4-{[(4-methoxybenzyl)sulfonyl]methyl}piperidino)[3-(trifluoromethyl)phenyl]methanone4-{[(4-methoxyphenyl)methanesulfonyl]methyl}-1-[3-(trifluoromethyl)benzoyl]piperidin-4-ol[4-hydroxy-4-[(4-methoxyphenyl)methylsulfonylmethyl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanoneMLS000720746CHEMBL1884469HMS2724P15AKOS005092117SMR0003367304X-0229(4-Hydroxy-4-(((4-methoxybenzyl)sulfonyl)methyl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone(4-Hydroxy-4-([(4-methoxybenzyl)sulfonyl]methyl)piperidino)[3-(trifluoromethyl)phenyl]methanone
이름 더 보기
Methanone, [4-hydroxy-4-[[[(4-methoxyphenyl)methyl]sulfonyl]methyl]-1-piperidinyl][3-(trifluoromethyl)phenyl]-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 92.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 736
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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