methyl 2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate
Chemical Structure Depiction of
methyl 2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate
methyl 2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate
Compound characteristics
| Compound ID: | C656-0609 |
| Compound Name: | methyl 2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]butanoate |
| Molecular Weight: | 343.34 |
| Molecular Formula: | C16 H17 N5 O4 |
| Smiles: | CCC(C(=O)OC)N1C=Nc2c(C1=O)nnn2c1cccc(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5898 |
| logD: | 1.5898 |
| logSw: | -1.9894 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.239 |
| InChI Key: | DBMWLRWGSWDJMU-LBPRGKRZSA-N |