N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide

HCID 10458488
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CN(Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c2s1)CC(O)c1ccccc1
InChIKey
ROOZBWRQVMVZNG-UHFFFAOYSA-N
분자식
C26H26ClN3O3S
평균 분자량
496 g/mol
단동위원소 질량
495.1383406

이름 및 식별자

우선 이름
N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamide
IUPAC
N-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-7-methyl-4-oxothieno[2,3-b]pyridine-5-carboxamide

이름 및 동의어

CHEMBL245291N-(4-chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideSCHEMBL6710719ROOZBWRQVMVZNG-UHFFFAOYSA-NBDBM50210612N-(4-Chlorobenzyl)-2-(((2-hydroxy-2-phenylethyl)(methyl)-amino)methyl)-7-methyl-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamideN-[(4-chlorophenyl)methyl]-2-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-7-methyl-4-oxo-thieno[2,3-b]pyridine-5-carboxamide

데이터베이스 식별자

PubChem CID
10458488
ChEMBL
CHEMBL245291

물성

구조 계산 물성

XLogP
4.6
극성 표면적
101 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
34

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