{(3S,4R)-4-(3,4-Dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-methyl-carbamic acid 2-fluoro-pyridin-3-yl ester

HCID 53244726
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기본 정보

표준 SMILES
CN(C(=O)Oc1cccnc1F)[C@@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIKey
NKIRMCHTTZXICZ-SIKLNZKXSA-N
분자식
C28H31Cl2FN4O4
평균 분자량
577.5 g/mol

이름 및 식별자

우선 이름
{(3S,4R)-4-(3,4-Dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-methyl-carbamic acid 2-fluoro-pyridin-3-yl ester
IUPAC
(2-fluoro-3-pyridinyl) N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate

이름 및 동의어

{(3S,4R)-4-(3,4-Dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl]-pyrrolidin-3-yl}-methyl-carbamic acid 2-fluoro-pyridin-3-yl ester{(3S,4R)-4-(3,4-Dichloro-phenyl)-1-[1-(1-methyl-cyclopropanecarbonyl)-piperidine-4-carbonyl}-pyrrolidin-3-yl]-methyl-carbamic acid 2-fluoro-pyridin-3-yl esterSCHEMBL1977734NKIRMCHTTZXICZ-SIKLNZKXSA-N

데이터베이스 식별자

PubChem CID
53244726

물성

구조 계산 물성

XLogP
4.2
극성 표면적
83.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
39

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