5-tert-amyl-N-[1-(2-furyl)ethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

HCID 9634281CAS 518018-93-4
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCC(C)(C)C1CCc2[nH]nc(C(=O)N/N=C(\C)c3ccco3)c2C1
InChIKey
KZGGSTFHLWGOQL-UDWIEESQSA-N
분자식
C19H26N4O2
평균 분자량
342.4 g/mol
단동위원소 질량
342.20557607

이름 및 식별자

우선 이름
5-tert-amyl-N-[1-(2-furyl)ethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
IUPAC
N-[(E)-1-(furan-2-yl)ethylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

이름 및 동의어

MLS000769042SMR000433762518018-93-4CHEMBL3195463BDBM75640cid_3751730DTXSID601320930STL315113AKOS002170864AKOS016237076AKOS0220962435-tert-amyl-N-[1-(2-furyl)ethylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
이름 더 보기
ST50054027(E)-N'-(1-(furan-2-yl)ethylidene)-5-(tert-pentyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide5-(1,1-Dimethyl-propyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [1-furan-2-yl-eth-(E)-ylidene]-hydrazide5-(1,1-Dimethyl-propyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid [1-furan-2-yl-eth-(E)-ylidene]-hydrazideN'-[(1E)-1-(FURAN-2-YL)ETHYLIDENE]-5-(2-METHYLBUTAN-2-YL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-3-CARBOHYDRAZIDEN'-[(1E)-1-(furan-2-yl)ethylidene]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carbohydrazideN-((1E)-2-(2-furyl)-1-azaprop-1-enyl)[5-(1,1-dimethylpropyl)(1H-4,5,6,7-tetrah ydroindazol-3-yl)]carboxamideN-[(E)-1-(furan-2-yl)ethylideneamino]-5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

데이터베이스 식별자

CAS
518018-93-4
PubChem CID
9634281
DTXSID
DTXSID601320930
ChEMBL
CHEMBL3195463

물성

구조 계산 물성

XLogP
4.3
극성 표면적
83.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
5
무거운 원자 수
25

실험 및 물리화학적 성질

Solubility0.7 [ug/mL] (The mean of the results at pH 7.4)

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