기본 정보
- CAS
103183-79-5- 표준 SMILES
CCOC(=O)C1=C(C)Nc2ccnc(OC(C)C)c2C1c1ccccc1C(F)(F)F- InChIKey
XVXQOAYCEUDQTQ-UHFFFAOYSA-N- 분자식
- C22H23F3N2O3
- 평균 분자량
- 420.4 g/mol
- 단동위원소 질량
- 420.16607726
개요
structure given in first source
이름 및 식별자
- 우선 이름
- CI 951
- IUPAC
- ethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
- 영어명
- Goe 5438
- 분자식
- C22H23F3N2O3
- 분자량
- 420.43
이름 및 동의어
CI 951126661-07-2CI-951RefChem:918599103183-79-5Ethyl 1,4-dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylateethyl 2-methyl-5-propan-2-yloxy-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylateethyl 5-isopropoxy-2-methyl-4-(2-(trifluoromethyl)phenyl)-1,4-dihydro-1,6-naphthyridine-3-carboxylateGoe 5438Goe-5438NC-1500orb1737901
이름 더 보기
SCHEMBL8658109DTXSID00908239(+)-1,4-Dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylic acid ethyl ester(+/-)-1,4-dihydro-5-isopropoxy-2-methyl-4-(2-trifluoromethylphenyl)-1,6-naphthyridine-3-carboxylic acid ethyl ester1,6-Naphthyridine-3-carboxylic acid, 1,4-dihydro-2-methyl-5-(1-methylethoxy)-4-(2-(trifluoromethyl)phenyl)-, ethyl ester1,6-Naphthyridine-3-carboxylic acid, 1,4-dihydro-2-methyl-5-(1-methylethoxy)-4-(2-(trifluoromethyl)phenyl)-, ethyl ester, (+-)-ethyl (+/-)-1,4-dihydro-5-isopropoxy-2-methyl-4-(2-trifluoro methylphenyl)-1,6-naphthyridine-3-carboxylateEthyl 2-methyl-5-[(propan-2-yl)oxy]-4-[2-(trifluoromethyl)phenyl]-1,4-dihydro-1,6-naphthyridine-3-carboxylate
데이터베이스 식별자
- CAS
103183-79-5、126661-07-2
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 60.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 650
물리화학적 성질
- 끓는 점
- 454 · 454.0±45.0 °C(Predicted)
- 밀도
- 1.222 · 1.222±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.09 · 6.09±0.70(Predicted)
화학 및 산업
공급사4 곳
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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