N-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramide

HCID 67272230

기본 정보

표준 SMILES
CCC(C(=O)NCc1ccc(CN(Cc2ncc(C)cc2C)C2CCCc3cccnc32)c(CO)c1)c1ccccc1
InChIKey
APHHBKPPTVFIBU-UHFFFAOYSA-N
분자식
C36H42N4O2
평균 분자량
562.7 g/mol
단동위원소 질량
562.3307766

이름 및 식별자

우선 이름
N-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramide
IUPAC
N-[[4-[[(3,5-dimethyl-2-pyridinyl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3-(hydroxymethyl)phenyl]methyl]-2-phenylbutanamide

이름 및 동의어

SCHEMBL2083850APHHBKPPTVFIBU-UHFFFAOYSA-NN-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butvramideN-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramideN-(4-{[(3,5-dimethyl-pyridin-2-ylmethyl)-(5.6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-3-hydroxymethyl-benzyl)-2-phenyl-butyramide

데이터베이스 식별자

PubChem CID
67272230

물성

구조 계산 물성

XLogP
4.9
극성 표면적
78.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
11
무거운 원자 수
42

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