기본 정보
- CAS
70085-02-8- 표준 SMILES
COC(=O)c1cc(C(=O)C(C)C)sc1N=Nc1cc2c(cc1C)N(CCO)C(C)CC2- InChIKey
RUWCXVKHFMTLPL-UHFFFAOYSA-N- 분자식
- C23H29N3O4S
- 평균 분자량
- 443.6 g/mol
- 단동위원소 질량
- 443.18787759
이름 및 식별자
- 우선 이름
- 3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl ester
- IUPAC
- methyl 2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxylate
이름 및 동의어
DTXSID308876893-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-(2-(1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)diazenyl)-, methyl ester3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl esterRefChem:505467DTXCID0010269763-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-((1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-, methyl ester70085-02-83-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]azo]-, methyl esterRUWCXVKHFMTLPL-UHFFFAOYSA-N2-(1,2,3,4-Tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl)azo)-5-(2-methyl-1-oxopropyl)-3-carbomethoxythiopheneMethyl 2-{[1-(2-hydroxyethyl)-2,7-dimethyl-1,2,3,4-tetrahydroquinolin-6-yl]diazenyl}-5-(2-methylpropanoyl)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
70085-02-8- PubChem CID
- 112189
- DTXSID
DTXSID30887689- Nikkaji
- J1.602.788J
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 673
화학 및 산업
용도 및 제조
General Manufacturing Information3-Thiophenecarboxylic acid, 5-(2-methyl-1-oxopropyl)-2-[2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,7-dimethyl-6-quinolinyl]diazenyl]-, methyl ester: INACTIVE
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