N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)benzamide

HCID 59346852

기본 정보

표준 SMILES
CCCO[C@H]1CN[C@@H]([C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(C(=O)N3CCC[C@@H]3COC)c2)C1
InChIKey
FWVJRLWZECHONO-VNFNVIIVSA-N
분자식
C30H39F2N3O5
평균 분자량
559.6 g/mol

이름 및 식별자

우선 이름
N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)benzamide
IUPAC
N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl]-3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]benzamide

이름 및 동의어

SCHEMBL2200807FWVJRLWZECHONO-VNFNVIIVSA-NN-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)-4-propoxypyrrolidin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)benzamideN-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((2R,4R)4-propoxypyrrolidin-2-yl)propan-2-yl)-3-((R)-2-(methoxymethyl)pyrrolidine-1-carbonyl)benzamide

데이터베이스 식별자

PubChem CID
59346852

물성

구조 계산 물성

XLogP
3.3
극성 표면적
100 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
12
무거운 원자 수
40

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4건

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