4-(2,6-Difluoro-phenylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde

HCID 10271633

기본 정보

표준 SMILES
CSc1nc(Nc2c(F)cccc2F)c(C=O)c(-c2ccc(F)cc2C)n1
InChIKey
QDILZBOJNLPEBK-UHFFFAOYSA-N
분자식
C19H14F3N3OS
평균 분자량
389.4 g/mol

이름 및 식별자

우선 이름
4-(2,6-Difluoro-phenylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde
IUPAC
4-(2,6-difluoroanilino)-6-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carbaldehyde

이름 및 동의어

SCHEMBL1064841QDILZBOJNLPEBK-UHFFFAOYSA-N(2,6-difluorophenyl amino]-6-(4-fluoro-2-methylphenyl)-2-(methylthio)-5-pyrimidinecarbaldehyde4-(2,6-difluoro-phenylamino)-6-(4-fluoro-2-methyl-phenyl)-2-methylsulfanyl-pyrimidine-5-carbaldehyde4-[(2,6-difluorophenyl)amino]-6-(4-fluoro-2-methylphenyl)-2-(methylthio)-pyrimidine-5-carbaldehyde

데이터베이스 식별자

PubChem CID
10271633

물성

구조 계산 물성

XLogP
5.3
극성 표면적
80.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
27

관련 반응

8건

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