Ethyl 4-[(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoate

HCID 13006282

기본 정보

표준 SMILES
CCOC(=O)c1ccc(N=Nc2ccc3c(c2)C(c2cccs2)=CCC3(C)C)cc1
InChIKey
PHXDBMHPCFOZPA-UHFFFAOYSA-N
분자식
C25H24N2O2S
평균 분자량
416.5 g/mol

이름 및 식별자

우선 이름
Ethyl 4-[(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoate
IUPAC
ethyl 4-[(5,5-dimethyl-8-thiophen-2-yl-6H-naphthalen-2-yl)diazenyl]benzoate

이름 및 동의어

SCHEMBL6292454SCHEMBL6292455PHXDBMHPCFOZPA-UHFFFAOYSA-NEthyl 4- [(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-vl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoateEthyl 4-[(5,5-dimethyl-8-(2-thienyl)-5.6-dihydronaphthalen-2yl)azo]benzoateEthyl 4-[(5.5-dimethyl-8-(2-thienyl)-5,6-dihydronaphthalen-2-yl)azo]benzoate

데이터베이스 식별자

PubChem CID
13006282

물성

구조 계산 물성

XLogP
6.8
극성 표면적
79.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
30

관련 반응

19건

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