(4R*,5R*)-5-[(1S*)(5-bromo(2-thienyl))hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one

HCID 69891005

기본 정보

표준 SMILES
CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(Br)s1
InChIKey
NIMTZKSGBLZWFL-HFBAOOFYSA-N
분자식
C16H16BrNO2S
평균 분자량
366.3 g/mol

이름 및 식별자

우선 이름
(4R*,5R*)-5-[(1S*)(5-bromo(2-thienyl))hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
IUPAC
(4R,5R)-5-[(S)-(5-bromothiophen-2-yl)-hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one

이름 및 동의어

SCHEMBL6768128NIMTZKSGBLZWFL-HFBAOOFYSA-N(4R*,5R*)-5-[(1S*)(5-bromo(2-thienyl))hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one(+/-)-(4R*,5R*)-5-[(1S*)(5-bromo(2-thienyl))hydroxymethyl]-1-methyl-4-phenyl-pyrrolidin-2-one(+/-)-(4R*,5R*)-5-[(1S*)(5-bromo(2-thienyl))hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one

데이터베이스 식별자

PubChem CID
69891005

물성

구조 계산 물성

XLogP
2.8
극성 표면적
68.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
21

관련 반응

5건

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