기본 정보
- 표준 SMILES
CCOC(=O)c1ccc(N=Nc2ccc3c(c2)C(c2ccc(C)cc2)=CCC3(C)C)cc1- InChIKey
GMJQIPMQCNXEMK-UHFFFAOYSA-N- 분자식
- C28H28N2O2
- 평균 분자량
- 424.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)azo]-benzoate
- IUPAC
- ethyl 4-[[5,5-dimethyl-8-(4-methylphenyl)-6H-naphthalen-2-yl]diazenyl]benzoate
이름 및 동의어
SCHEMBL6236592SCHEMBL6236594GMJQIPMQCNXEMK-UHFFFAOYSA-NEthyl 4-[(5 ,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)azo]-benzoateEthyl 4-[(5 6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)azo]-benzoateethyl 4-[(5,6-dihydro-5,5- dimethyl-8-(4-methylphenyl)-2-naphthalenyl)azo]- benzoateEthyl 4-[(5,6-dihydro-5,5-dimethyl- 8-(4-methylphenyl)-2-naphthalenyl)azo]-benzoateEthyl 4-[(5,6-dihydro-5,5-dimethyl-8-(4-methylphenyl)-2-naphthalenyl)azo]-benzoate
데이터베이스 식별자
- PubChem CID
- 22323724
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 51 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 696
관련 반응
19건
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