Basic information
- CAS
147296-94-4- Standard SMILES
CCOC(=O)c1cc(C)nc2nc(SCCCN3CCN(c4ccccc4)CC3)n(-c3ccccc3)c(=O)c12- InChIKey
IFYXGJROLPIBBF-UHFFFAOYSA-N- Molecular formula
- C30H33N5O3S
- Average molar mass
- 543.7 g/mol
- Monoisotopic mass
- 543.23041111
Names & identifiers
- Preferred name
- Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl ester
- IUPAC
- ethyl 7-methyl-4-oxo-3-phenyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]pyrido[2,3-d]pyrimidine-5-carboxylate
Names & synonyms
147296-94-4Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 3,4-dihydro-7-methyl-4-oxo-3-phenyl-2-((3-(4-phenyl-1-piperazinyl)propyl)thio)-, ethyl esterDTXSID30163652RefChem:377361DTXCID4086143Ethyl 7-methyl-4-oxo-3-phenyl-2-{[3-(4-phenylpiperazin-1-yl)propyl]sulfanyl}-3,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Database identifiers
- CAS
147296-94-4- PubChem CID
- 3073201
- DTXSID
DTXSID30163652- Nikkaji
- J523.448D
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 852
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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