2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-((1-methyl-1H-imidazol-4-yl)methyl)thiazole-5-carboxamide

HCID 59481293

기본 정보

표준 SMILES
Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(=O)NCc1cn(C)cn1
InChIKey
WUXVFDRDUKEWLP-UHFFFAOYSA-N
분자식
C19H18FN7O2S
평균 분자량
427.5 g/mol

이름 및 식별자

우선 이름
2-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-((1-methyl-1H-imidazol-4-yl)methyl)thiazole-5-carboxamide
IUPAC
2-[1-[(4-fluorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-[(1-methylimidazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

이름 및 동의어

CHEMBL3394686SCHEMBL245624WUXVFDRDUKEWLP-UHFFFAOYSA-NBDBM500606492-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-4-methyl-N-((1-methyl-1H-imidazol-4-yl)methyl)thiazole-5-carboxamide

데이터베이스 식별자

PubChem CID
59481293
ChEMBL
CHEMBL3394686

물성

구조 계산 물성

XLogP
1.7
극성 표면적
124 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
30

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4건

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