2-(3-Butoxyphenyl)-2,3-dihydro-9-(2-thienyl)-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Basic information
- CAS
587851-57-8- Standard SMILES
CCCCOc1cccc(C2NC(=O)c3sc4nc(C(F)(F)F)cc(-c5cccs5)c4c3N2)c1- InChIKey
CZIJRJAUJSAUIW-UHFFFAOYSA-N- Molecular formula
- C24H20F3N3O2S2
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.09490372
Names & identifiers
- Preferred name
- 2-(3-Butoxyphenyl)-2,3-dihydro-9-(2-thienyl)-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
- IUPAC
- 4-(3-butoxyphenyl)-13-thiophen-2-yl-11-(trifluoromethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-6-one
Names & synonyms
587851-57-82-(3-Butoxyphenyl)-2,3-dihydro-9-(2-thienyl)-7-(trifluoromethyl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one2-(3-butoxyphenyl)-9-(thiophen-2-yl)-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-oneDTXSID801107168STK434164AKOS003295577AKOS022150509ST508419752-(3-Butoxyphenyl)-2,3-dihydro-9-(2-thienyl)-7-(trifluoromethyl)pyrido[3a(2),2a(2):4,5]thieno[3,2-d]pyrimidin-4(1H)-one2-(3-butoxyphenyl)-9-(2-thienyl)-7-(trifluoromethyl)-1,2,3-trihydropyrimidino[ 4',5'-5,4]thiopheno[2,3-b]pyridin-4-one
Database identifiers
- CAS
587851-57-8- PubChem CID
- 4495056
- DTXSID
DTXSID801107168
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 730
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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