7-tert-Butyl 1-methyl 3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate

HCID 57518452

기본 정보

표준 SMILES
COC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIKey
AEQKPGZWGAVZIB-UHFFFAOYSA-N
분자식
C14H18F3N3O4
평균 분자량
349.31 g/mol
단동위원소 질량
349.12494055

이름 및 식별자

우선 이름
7-tert-Butyl 1-methyl 3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate
IUPAC
7-O-tert-butyl 1-O-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate

이름 및 동의어

1174039-45-27-tert-Butyl 1-methyl 3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1,7-dicarboxylateMethyl 7-Boc-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylateSCHEMBL2860794O7-tert-butyl O1-methyl 3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1,7-dicarboxylateDB-114095CS-00562043-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazine-1,7-dicarboxylic acid 7-tert-butyl ester 1-methyl ester7-tert-Butyl1-methyl3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1,7-dicarboxylate

데이터베이스 식별자

PubChem CID
57518452

물성

구조 계산 물성

XLogP
1.5
극성 표면적
73.7 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
4
무거운 원자 수
24

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