N-(5-(tert-butyl)-2-(2,5-dimethylpyrrolyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea

HCID 54135293

기본 정보

표준 SMILES
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)ccc3-c3cc(C)[nH]c3C)cc2)ccn1
InChIKey
NXGILWCFZNEZQZ-UHFFFAOYSA-N
분자식
C30H33N5O3
평균 분자량
511.6 g/mol

이름 및 식별자

우선 이름
N-(5-(tert-butyl)-2-(2,5-dimethylpyrrolyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea
IUPAC
4-[4-[[5-tert-butyl-2-(2,5-dimethyl-1H-pyrrol-3-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

이름 및 동의어

SCHEMBL618033NXGILWCFZNEZQZ-UHFFFAOYSA-NN-(5-(tert-butyl)-2-(2,5-dimethylpyrrolyl) phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) ureaN-(5-(tert-butyl)-2-(2,5-dimethylpyrrolyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl) ureaN-(5-(tert-butyl)-2-(2,5-dimethylpyrrolyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea

데이터베이스 식별자

PubChem CID
54135293

물성

구조 계산 물성

XLogP
5.4
극성 표면적
108 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
4
회전 가능 결합 수
7
무거운 원자 수
38

관련 반응

6건

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