1-Methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid

HCID 58397517

기본 정보

표준 SMILES
Cn1c(Nc2nc3ccc(OC(F)(F)F)cc3s2)nc2cc(C(=O)O)ccc21
InChIKey
KKJAWJDSYSWDII-UHFFFAOYSA-N
분자식
C17H11F3N4O3S
평균 분자량
408.4 g/mol

이름 및 식별자

우선 이름
1-Methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid
IUPAC
1-methyl-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]benzimidazole-5-carboxylic acid

이름 및 동의어

1-Methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acidSCHEMBL22456221-methyl-2-(6-trifluoromethoxy-benzo-thiazol-2-ylamino)-1H-benzoimidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-yl-amino)-1H-benzoimidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benz-imidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzimidazole-5-carboxylic acid1-methyl-2-(6-trifluoromethoxy-benzothiazol-2-ylamino)-1H-benzo-imidazole-5-carboxylic acid

데이터베이스 식별자

PubChem CID
58397517

물성

구조 계산 물성

XLogP
4.8
극성 표면적
118 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
10
회전 가능 결합 수
4
무거운 원자 수
28

관련 반응

64건

연결된 노트

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