N-[3-[2-[6-(Methylamino)-9H-purine-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

HCID 15950818

기본 정보

표준 SMILES
CNc1ncnc2c1ncn2/C=C/c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C
InChIKey
BZGNECUWAFBECM-CMDGGOBGSA-N
분자식
C23H19F3N6O
평균 분자량
452.4 g/mol

이름 및 식별자

우선 이름
N-[3-[2-[6-(Methylamino)-9H-purine-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
IUPAC
N-[4-methyl-3-[(E)-2-[6-(methylamino)purin-9-yl]ethenyl]phenyl]-3-(trifluoromethyl)benzamide

이름 및 동의어

CHEMBL558475SCHEMBL4124493BDBM50294016N-[3-[2-[6-(Methylamino)-9H-purine-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide(E)-N-(4-Methyl-3-(2-(6-(methylamino)-9H-purin-9-yl)vinyl)phenyl)-3-(trifluoromethyl)benzamide(E)-N-(4-Methyl-3-(2-(6-(methylamino)-9Hpurin-9-yl)vinyl)phenyl)-3-(trifluoromethyl)-benzamide

데이터베이스 식별자

PubChem CID
15950818
ChEMBL
CHEMBL558475
Nikkaji
J2.506.190J

물성

구조 계산 물성

XLogP
4.5
극성 표면적
84.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
33

관련 반응

4건

화합물 노트

불러오는 중…

N-[3-[2-[6-(Methylamino)-9H-purine-9-yl]ethenyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (HCID 15950818)|Huagongshe