N'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

HCID 71270206
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(C)c(-c2cn(C)c3ccccc23)n1
InChIKey
WKGLUUJYFZUFJW-UHFFFAOYSA-N
분자식
C26H31N7O3
평균 분자량
489.6 g/mol

이름 및 식별자

우선 이름
N'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine
IUPAC
4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-1-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

이름 및 동의어

SCHEMBL14719107WKGLUUJYFZUFJW-UHFFFAOYSA-NN'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methy-lindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamineN'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methyl-indol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamineN'-(2-Dimethylaminoethyl)-2-methoxy-N'-methyl-N-[5-methyl-4-(1-methylindol-3-yl)pyrimidin-2-yl]-5-nitrobenzene-1,4-diamine

데이터베이스 식별자

PubChem CID
71270206

물성

구조 계산 물성

XLogP
4.1
극성 표면적
104 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
36

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