2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide
Basic information
- CAS
500276-85-7- Standard SMILES
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCc4ccccc4)c3nc12- InChIKey
AINLDDVHMMTZDO-UHFFFAOYSA-N- Molecular formula
- C26H23N5O3
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.18008961
Names & identifiers
- Preferred name
- 2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide
- IUPAC
- N-(furan-2-ylmethyl)-6-imino-11-methyl-2-oxo-7-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
- English name
- N-(furan-2-ylmethyl)-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide
- Molecular formula
- C26H23N5O3
- Molecular weight
- 453.49
Names & synonyms
GNF-Pf-3955MLS0000730912-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid (furan-2-ylmethyl)-amide500276-85-7SMR000013108N-(2-furylmethyl)-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamideregid844814MLS001385288CHEMBL605747cid_647145SCHEMBL31061652BDBM49996
Show more names
N-(furan-2-ylmethyl)-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)dipyrido[3,4-c:1',2'-f]pyrimidine-3-carboxamide2H-Dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(2-furanylmethyl)-1,5-dihydro-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-
HMS2774A18STK703431AKOS001655389EU-0080883AF-399/41399376Z577808572-azanylidene-N-(furan-2-ylmethyl)-10-methyl-5-oxidanylidene-1-(2-phenylethyl)dipyrido[3,4-c:1'',2''-f]pyrimidine-3-carboxamideN-(2-furanylmethyl)-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-3-dipyrido[3,4-c:1'',2''-f]pyrimidinecarboxamide
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 1,040
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 10.99 · 10.99±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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Compound notes
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