N-((S)-3-{2-Ethyl-4-[5-(5-formyl-3,4-dimethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide

HCID 86646446
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기본 정보

표준 SMILES
CCc1cc(-c2noc(-c3sc(C=O)c(C)c3C)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO
InChIKey
WSRGYCOQFWQWCZ-KRWDZBQOSA-N
분자식
C23H27N3O6S
평균 분자량
473.5 g/mol

이름 및 식별자

우선 이름
N-((S)-3-{2-Ethyl-4-[5-(5-formyl-3,4-dimethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide
IUPAC
N-[(2S)-3-[2-ethyl-4-[5-(5-formyl-3,4-dimethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide

이름 및 동의어

SCHEMBL2064706WSRGYCOQFWQWCZ-KRWDZBQOSA-NN-((S)-3-{2-Ethyl-4-[5-(5-formyl-3,4-dimethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide

데이터베이스 식별자

PubChem CID
86646446

물성

구조 계산 물성

XLogP
2.9
극성 표면적
163 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
10
무거운 원자 수
33

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2건
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N-((S)-3-{2-Ethyl-4-[5-(5-formyl-3,4-dimethyl-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide (HCID 86646446)｜Huagongshe