Basic information
- CAS
133147-24-7- Standard SMILES
CCON(C)C(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(c3ccc(Cl)cc3)CC2)C1c1cccc([N+](=O)[O-])c1- InChIKey
HTTHWVOTPBWVSY-UHFFFAOYSA-N- Molecular formula
- C30H36ClN5O6
- Average molar mass
- 598.1 g/mol
- Monoisotopic mass
- 597.2354116
Names & identifiers
- Preferred name
- 3-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester
- IUPAC
- 2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-[ethoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Names & synonyms
133147-24-73-Pyridinecarboxylic acid, 1,4-dihydro-2,6-dimethyl-5-((ethoxymethylamino)carbonyl)-4-(3-nitrophenyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl esterRefChem:2821912-[4-(4-chlorophenyl)piperazin-1-yl]ethyl 5-[ethoxy(methyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylateDTXSID90927979
Database identifiers
- CAS
133147-24-7- PubChem CID
- 3076996
- DTXSID
DTXSID90927979- Nikkaji
- J362.600H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,050
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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