4-((Benzyl(methyl)amino)methyl)-2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-5-(4-(3-methoxyureido)phenyl)thiophene-3-carboxylic acid

HCID 18324800

기본 정보

표준 SMILES
CCOC(=O)N(Cc1c(F)cccc1F)c1sc(-c2ccc(NC(=O)NOC)cc2)c(CN(C)Cc2ccccc2)c1C(=O)O
InChIKey
AGEYSCFFUDNQPS-UHFFFAOYSA-N
분자식
C32H32F2N4O6S
평균 분자량
638.7 g/mol

이름 및 식별자

우선 이름
4-((Benzyl(methyl)amino)methyl)-2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-5-(4-(3-methoxyureido)phenyl)thiophene-3-carboxylic acid
IUPAC
4-[[benzyl(methyl)amino]methyl]-2-[(2,6-difluorophenyl)methyl-ethoxycarbonylamino]-5-[4-(methoxycarbamoylamino)phenyl]thiophene-3-carboxylic acid

이름 및 동의어

308831-99-44-((benzyl(methyl)amino)methyl)-2-((2,6-difluorobenzyl)(ethoxycarbonyl)amino)-5-(4-(3-methoxyureido)phenyl)thiophene-3-carboxylic acid4-{[benzyl(methyl)amino]methyl}-2-{[(2,6-difluorophenyl)methyl](ethoxycarbonyl)amino}-5-{4-[(methoxycarbamoyl)amino]phenyl}thiophene-3-carboxylic acid4-(N-benzyl-N-methylaminomethyl)-2-(N-(2,6-difluorobenzyl)-N-ethoxycarbonylamino)-5-(4-(3-methoxyureido)phenyl)thiophene-3-carboxylic acid4-(N-benzyl-N-methylaminomethyl)-2-[N-(2,6-difluorobenzyl)-N-ethoxycarbonylamino]-5-[4-(3-methoxyureido)phenyl]thiophene-3-carboxylic acidSCHEMBL778312AGEYSCFFUDNQPS-UHFFFAOYSA-N4-(N-benzyl-N-methylaminomethyl)-2-(N-(2,6-difluorobenzyl) -N-ethoxycarbonylamino)-5-(4-(3-methoxyureido)phenyl)thiophene-3-carboxylic acid

데이터베이스 식별자

PubChem CID
18324800

물성

구조 계산 물성

XLogP
3.1
극성 표면적
149 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
13
무거운 원자 수
45

관련 반응

27건

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