기본 정보
- CAS
681816-57-9- 표준 SMILES
COC(=O)C1=C(C)NC(COCCNC(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)=C(C(=O)OC)C1c1ccccc1Cl- InChIKey
IEWHOLAJSCSUMW-UHFFFAOYSA-N- 분자식
- C31H32Cl2N4O8
- 평균 분자량
- 659.5 g/mol
이름 및 식별자
- 우선 이름
- Ati-22-107
- IUPAC
- dimethyl 2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- ATI22-107
- 분자식
- C31H32Cl2N4O8
- 분자량
- 659.52
이름 및 동의어
ATI-22-107681816-57-9ACV050QCE23,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-(((2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy)acetyl)amino)ethoxy)methyl)-1,4-dihydro-6-methyl-, dimethyl esterATI-22107ATI22-1073,5-Pyridinedicarboxylic acid, 4-(2-chlorophenyl)-2-((2-((2-(2-chloro-4-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)phenoxy)acetyl)amino)ethoxy)methyl)-1,4-dihydro-6-methyl-, 3,5-dimethyl esterRefChem:916447ATI 22-107UNII-ACV050QCE2orb1698292SCHEMBL5142306
이름 더 보기
ATI22107,ATI 22 107
IEWHOLAJSCSUMW-UHFFFAOYSA-NAKOS040750622CS-0107162T30197Q272738712-(2-{2-[2-Chloro-4-(6-oxo-1,4,5,6-tetrahydro-pyridazin-3-yl)-phenoxy]-acetylamino}-ethoxymethyl)-4-(2-chloro-phenyl)-6-methyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl esterdimethyl 2-[2-[[2-[2-chloro-4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenoxy]acetyl]amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,220
화학 및 산업
공급사3 곳
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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