(4S,5R)-5-[4-(6-Dimethylaminomethyl-pyridin-3-yl)-phenyl]-4-fluoromethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

HCID 86695470

기본 정보

표준 SMILES
CN(C)Cc1ccc(-c2ccc([C@H]3OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]3CF)cc2)cn1
InChIKey
QZJFPQZOLOUTEH-FGZHOGPDSA-N
분자식
C25H34FN3O3
평균 분자량
443.6 g/mol

이름 및 식별자

우선 이름
(4S,5R)-5-[4-(6-Dimethylaminomethyl-pyridin-3-yl)-phenyl]-4-fluoromethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (4S,5R)-5-[4-[6-[(dimethylamino)methyl]-3-pyridinyl]phenyl]-4-(fluoromethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

이름 및 동의어

SCHEMBL15239634QZJFPQZOLOUTEH-FGZHOGPDSA-N(4S,5R)-5-[4-(6-Dimethylaminomethyl-pyridin-3-yl)-phenyl]-4-fluoromethyl-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester

데이터베이스 식별자

PubChem CID
86695470

물성

구조 계산 물성

XLogP
3.8
극성 표면적
54.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
32

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