N-allyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Basic information
- CAS
690250-09-0- Standard SMILES
C=CCNC(=O)c1cc2c(=O)n3ccccc3nc2s1- InChIKey
XMUGRPOELPVXTE-UHFFFAOYSA-N- Molecular formula
- C14H11N3O2S
- Average molar mass
- 285.32 g/mol
- Monoisotopic mass
- 285.05719778
Names & identifiers
- Preferred name
- N-allyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
- IUPAC
- 2-oxo-N-prop-2-enyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Names & synonyms
MLS001197609CHEMBL1542242DTXSID201320457HMS1783N13HMS2875B19CCG-27704N-allyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamideAKOS000810673690250-09-0SMR000559883SR-01000122931SR-01000122931-1
Show more names
Z1199806604-Oxo-N-(prop-2-en-1-yl)-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide2-oxo-N-prop-2-enyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
Database identifiers
- CAS
690250-09-0- PubChem CID
- 2158353
- DTXSID
DTXSID201320457- ChEMBL
CHEMBL1542242
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 553
Experimental & physicochemical properties
Solubility10.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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