tert-butyl 6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

HCID 71259620
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기본 정보

표준 SMILES
COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc3c(-c4ccc(C(F)(F)F)cc4-c4ccnn4C)cn(C(=O)OC(C)(C)C)c3n2)c(OC)c1
InChIKey
RHIAVZSPFVXOBB-UHFFFAOYSA-N
분자식
C34H32F3N7O6S2
평균 분자량
755.8 g/mol

이름 및 식별자

우선 이름
tert-butyl 6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
IUPAC
tert-butyl 6-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-3-[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine-1-carboxylate

이름 및 동의어

tert-butyl 6-(N-(2,4-dimethoxybenzyl)-N-(1,2,4-thiadiazol-5-yl)sulfamoyl)-3-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylateSCHEMBL14699220

데이터베이스 식별자

PubChem CID
71259620

물성

구조 계산 물성

XLogP
6.7
극성 표면적
180 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
15
회전 가능 결합 수
11
무거운 원자 수
52

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