Basic information
- CAS
573707-94-5- Standard SMILES
COc1ccc(CCn2c(=N)c(C(=O)NCc3ccc(C)cc3)cc3c(=O)n4ccccc4nc32)cc1- InChIKey
KULUWVJEDJIAJL-UHFFFAOYSA-N- Molecular formula
- C29H27N5O3
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.21138974
Names & identifiers
- Preferred name
- 2-imino-1-[2-(4-methoxyphenyl)ethyl]-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
- IUPAC
- 6-imino-7-[2-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- English name
- 2-imino-1-[2-(4-methoxyphenyl)ethyl]-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
- Molecular formula
- C29H27N5O3
- Molecular weight
- 493.56
Names & synonyms
TCMDC-1244752-imino-1-[2-(4-methoxyphenyl)ethyl]-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide573707-94-5CHEMBL530741STK707230AKOS0051817472-imino-1-(4-methoxyphenethyl)-N-(4-methylbenzyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide2-imino-1-[2-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1,5-dihydro-2-imino-1-[2-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]-5-oxo-
Database identifiers
- CAS
573707-94-5- PubChem CID
- 3567406
- ChEMBL
CHEMBL530741
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,080
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
OTAVA-BB[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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