N1-butyl-N3-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-4-hydroxy-4-phenylpyrrolidin-2-yl)propan-2-yl)-N1-methylisophthalamide

HCID 11848528

기본 정보

표준 SMILES
CCCCN(C)C(=O)c1cccc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CC(O)(c3ccccc3)CN2)c1
InChIKey
USRGROZKRRJGQT-KQDUJMBLSA-N
분자식
C32H37F2N3O4
평균 분자량
565.6 g/mol

이름 및 식별자

우선 이름
N1-butyl-N3-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-4-hydroxy-4-phenylpyrrolidin-2-yl)propan-2-yl)-N1-methylisophthalamide
IUPAC
3-N-butyl-1-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R)-4-hydroxy-4-phenylpyrrolidin-2-yl]propan-2-yl]-3-N-methylbenzene-1,3-dicarboxamide

이름 및 동의어

SCHEMBL3052979USRGROZKRRJGQT-KQDUJMBLSA-NN1-butyl-N3-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R)-4-hydroxy-4-phenylpyrrolidin-2-yl)propan-2-yl)-N1-methylisophthalamide

데이터베이스 식별자

PubChem CID
11848528

물성

구조 계산 물성

XLogP
4
극성 표면적
102 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
41

관련 반응

6건

연결된 노트

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