Methyl 1-{[(3-chloro-2'-{4-chloro-3-[3-(dimethylamino)propoxy]-phenyl}-5-methyl-2,3'-bipyridin-6'-yl)carbonyl]amino}cyclohexane-carboxylate hydrochloride

HCID 66840590
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기본 정보

표준 SMILES
COC(=O)C1(NC(=O)c2ccc(-c3ncc(C)cc3Cl)c(-c3ccc(Cl)c(OCCCN(C)C)c3)n2)CCCCC1.Cl
InChIKey
ZPJQQKXMWUBBNF-UHFFFAOYSA-N
분자식
C31H37Cl3N4O4
평균 분자량
636 g/mol
단동위원소 질량
634.188039

이름 및 식별자

우선 이름
Methyl 1-{[(3-chloro-2'-{4-chloro-3-[3-(dimethylamino)propoxy]-phenyl}-5-methyl-2,3'-bipyridin-6'-yl)carbonyl]amino}cyclohexane-carboxylate hydrochloride
IUPAC
methyl 1-[[6-[4-chloro-3-[3-(dimethylamino)propoxy]phenyl]-5-(3-chloro-5-methyl-2-pyridinyl)pyridine-2-carbonyl]amino]cyclohexane-1-carboxylate;hydrochloride

이름 및 동의어

SCHEMBL912179ZPJQQKXMWUBBNF-UHFFFAOYSA-NMethyl 1-{[(3-chloro-2'-{4-chloro-3-[3-(dimethylamino)propoxy]-phenyl}-5-methyl-2,3'-bipyridin-6'-yl)carbonyl]amino}cyclohexane-carboxylate hydrochlorideMethyl 1-{[(3-chloro-2'-{4-chloro-3-[3-(dimethylamino)propoxy]-phenyl}-5-methyl-2,3'-bipyridin-6'-yl)carbonyl]amino}cyclohexanecarboxylate hydrochlorideMethyl 1-{[(3-chloro-2'-{4-chloro-3-[3-(dimethylamino)propoxy]phenyl}-5-methyl-2,3'-bipyridin-6'-yl)carbonyl]amino}cyclohexanecarboxylate hydrochloride

데이터베이스 식별자

PubChem CID
66840590

물성

구조 계산 물성

극성 표면적
93.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
11
무거운 원자 수
42

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