2-[1-(4-Methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanone

HCID 24945574

기본 정보

표준 SMILES: COc1cc(C)c(S(=O)(=O)N2CCCCC2COCC(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1
InChIKey: LLRDYAYGXUHNPL-UHFFFAOYSA-N
분자식: C27H44N4O5S
평균 분자량: 536.7 g/mol
단동위원소 질량: 536.30324169

이름 및 식별자

우선 이름: 2-[1-(4-Methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanone
IUPAC: 2-[[1-(4-methoxy-2,6-dimethylphenyl)sulfonylpiperidin-2-yl]methoxy]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone

이름 및 동의어

1018820-22-8Ethanone, 2-[[1-[(4-methoxy-2,6-dimethylphenyl)sulfonyl]-2-piperidinyl]methoxy]-1-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-2-[1-(4-methoxy-2,6-dimethyl-phenylsulfonyl)-piperidin-2-ylmethoxy]-1-[4-(1-methyl-piperidin-4-yl)-piperazin-1-yl]-ethanoneSCHEMBL2565310LLRDYAYGXUHNPL-UHFFFAOYSA-N2-((1-(4-methoxy-2,6-dimethylphenylsulfonyl)piperidin-2-yl)methoxy)-1-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)ethanone

데이터베이스 식별자

PubChem CID: 24945574

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 91 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 824

연결된 노트

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