6-benzyl-N-[(4-butoxyphenyl)methyl]-7-oxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
Chemical Structure Depiction of
6-benzyl-N-[(4-butoxyphenyl)methyl]-7-oxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
6-benzyl-N-[(4-butoxyphenyl)methyl]-7-oxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide
Compound characteristics
Compound ID: | L521-1707 |
Compound Name: | 6-benzyl-N-[(4-butoxyphenyl)methyl]-7-oxo-6,7-dihydro[1,2]thiazolo[4,3-d]pyrimidine-3-carboxamide |
Molecular Weight: | 448.54 |
Molecular Formula: | C24 H24 N4 O3 S |
Smiles: | CCCCOc1ccc(CNC(c2c3c(C(N(Cc4ccccc4)C=N3)=O)ns2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.911 |
logD: | 3.9106 |
logSw: | -3.883 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.271 |
InChI Key: | KGCPJFQOIXZZCQ-UHFFFAOYSA-N |