기본 정보
- CAS
157066-76-7- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1- InChIKey
FIIXCJGBCCCOQQ-UHFFFAOYSA-N- 분자식
- C36H40N4O5
- 평균 분자량
- 608.7 g/mol
- 단동위원소 질량
- 608.29987039
이름 및 식별자
- 우선 이름
- 3-Pyridinecarboxylic acid, 5-[[[3-(4,4-diphenyl-1-piperidinyl)propyl]amino]carbonyl]-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-, methyl ester
- IUPAC
- methyl 5-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
- 영어명
- 5-[[[3-(4,4-DIPHENYL-1-PIPERIDINYL)PROPYL]AMINO]CARBONYL]-1,4-DIHYDRO-2,6-DIMETHYL-4-(4-NITROPHENYL)-3-PYRIDINECARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
- 분자식
- C36H40N4O5
- 분자량
- 608.73
이름 및 동의어
157066-76-7CHEMBL4486203-Pyridinecarboxylic acid, 5-[[[3-(4,4-diphenyl-1-piperidinyl)propyl]amino]carbonyl]-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-, methyl esterSNAP-5089methyl 5-((3-(4,4-diphenylpiperidin-1-yl)propyl)carbamoyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate2,6-Dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid N-(3-(4,4-diphenylpiperidine-1-yl)propyl]amide methyl ester2,6-Dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid N-[3-(4,4-diphenylpiperidine-1-yl)propyl]amide methyl esterorb1704050SCHEMBL5919546FIIXCJGBCCCOQQ-UHFFFAOYSA-NAKOS040745367NCGC00167733-01
이름 더 보기
SNAP 50895-[[[3-(4,4-DIPHENYL-1-PIPERIDINYL)PROPYL]AMINO]CARBONYL]-1,4-DIHYDRO-2,6-DIMETHYL-4-(4-NITROPHENYL)-3-PYRIDINECARBOXYLIC ACID METHYL ESTER HYDROCHLORIDE
MS-32842CS-0083446T23374L000567BRD-A21428877-003-01-9BRD-A21428877-003-02-72,6-Dimethyl-4- (4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid N-[3-(4,4-diphenylpiperidine-1-yl)propyl]amide methyl ester2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid n-[3-(4,4-diphenylpiperidin-1-yl)propyl]amide methyl ester
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 116 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,090
물리화학적 성질
- 끓는 점
- 780.3 · 780.3±60.0 °C(Predicted)
- 밀도
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 64.52 mg/ml · <64.52mg/ml in DMSO; <64.52mg/ml in ethanol
- 산도 계수 (pKa)
- 14.77 · 14.77±0.70(Predicted)
화학 및 산업
공급사5 곳
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [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）4008200310 15002144251 · [email protected]
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