3-Pyridinecarboxylic acid, 5-[[[3-(4,4-diphenyl-1-piperidinyl)propyl]amino]carbonyl]-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-, methyl ester
Grundinformationen
- CAS
157066-76-7- Standard-SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc([N+](=O)[O-])cc1- InChIKey
FIIXCJGBCCCOQQ-UHFFFAOYSA-N- Summenformel
- C36H40N4O5
- Durchschnittliche Molmasse
- 608,7 g/mol
- Monoisotopische Masse
- 608,29987039
Namen und Bezeichner
- Bevorzugter Name
- 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
- Englischer Name
- 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
- Summenformel
- C36H40N4O5
- Molmasse
- 608.73
Namen und Synonyme
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
Weitere Namen anzeigen
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
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,1
- Polarare Oberfläche (TPSA)
- 116 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 45
- Formalladung
- 0
- Komplexität
- 1.090
Physikochemische Eigenschaften
- Siedepunkt
- 780.3 · 780.3±60.0 °C(Predicted)
- Dichte
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- Löslichkeit
- 64.52 mg/ml · <64.52mg/ml in DMSO; <64.52mg/ml in ethanol
- pka
- 14.77 · 14.77±0.70(Predicted)
Chemie und Industrie
Anbieter5 Anbieter
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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