4-[(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester

HCID 68427403

기본 정보

표준 SMILES
CCOC(=O)CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)OCC)C(=O)OC(C)(C)C
InChIKey
JBIVLLQDPGYKGM-UHFFFAOYSA-N
분자식
C23H27F3N2O6S
평균 분자량
516.5 g/mol

이름 및 식별자

우선 이름
4-[(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester
IUPAC
ethyl 4-[[(2-ethoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate

이름 및 동의어

4-[(tert-Butoxycarbonyl-ethoxycarbonylmethyl-amino)-methyl]-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl esterSCHEMBL2883561

데이터베이스 식별자

PubChem CID
68427403

물성

구조 계산 물성

XLogP
5.1
극성 표면적
123 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
11
회전 가능 결합 수
12
무거운 원자 수
35

관련 반응

3건

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