4-Ethoxy-7,9-dimethyl-8-(4-nitrobenzyl)-2-piperazin-1-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Basic information
- Standard SMILES
CCOc1nc(N2CCNCC2)nc2c1sc1nc(C)c(Cc3ccc([N+](=O)[O-])cc3)c(C)c12- InChIKey
SNMQZNQWJZFGMU-UHFFFAOYSA-N- Molecular formula
- C24H26N6O3S
- Average molar mass
- 478.6 g/mol
- Monoisotopic mass
- 478.17870989
Names & identifiers
- Preferred name
- 4-Ethoxy-7,9-dimethyl-8-(4-nitrobenzyl)-2-piperazin-1-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
- IUPAC
- 6-ethoxy-11,13-dimethyl-12-[(4-nitrophenyl)methyl]-4-piperazin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Names & synonyms
SCHEMBL1321947SNMQZNQWJZFGMU-UHFFFAOYSA-N4-ethoxy-7,9-dimethyl-8-(4-nitrobenzyl)-2-piperazin-1-yl-pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
Database identifiers
- PubChem CID
- 11655915
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Compound notes
Loading…