1-(2,6-difluorobenzyl)-6-(4-aminophenyl)-5-((benzyl(methyl)amino)methyl)-3-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

HCID 10919052

기본 정보

표준 SMILES
CN(Cc1ccccc1)Cc1c(-c2ccc(N)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F
InChIKey
FOXVBEONEKPPOA-UHFFFAOYSA-N
분자식
C34H28F2N4O2S
평균 분자량
594.7 g/mol

이름 및 식별자

우선 이름
1-(2,6-difluorobenzyl)-6-(4-aminophenyl)-5-((benzyl(methyl)amino)methyl)-3-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
IUPAC
6-(4-aminophenyl)-5-[[benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-3-phenylthieno[2,3-d]pyrimidine-2,4-dione

이름 및 동의어

CHEMBL332138SCHEMBL4252753FOXVBEONEKPPOA-UHFFFAOYSA-NBDBM501338401-(2,6-difluorobenzyl)-6-(4-aminophenyl)-5-((benzyl(methyl)amino)methyl)-3-phenylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione6-(4-Amino-phenyl)-5-[(benzyl-methyl-amino)-methyl]-1-(2,6-difluoro-benzyl)-3-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione6-(4-aminophenyl)-5-(n-benzyl-n-methylaminomethyl)-1-(2,6-difluorobenzyl)-3-phenylthieno[2,3-d]pyrimidine-2,4(1h, 3h)-dione

데이터베이스 식별자

PubChem CID
10919052
ChEMBL
CHEMBL332138
Nikkaji
J2.025.904C

물성

구조 계산 물성

XLogP
6.4
극성 표면적
98.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
43

관련 반응

6건

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