methyl 4-{6-[(2,4-dimethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
Chemical Structure Depiction of
methyl 4-{6-[(2,4-dimethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
methyl 4-{6-[(2,4-dimethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate
Compound characteristics
| Compound ID: | F019-0503 |
| Compound Name: | methyl 4-{6-[(2,4-dimethoxyphenyl)carbamoyl]-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}benzoate |
| Molecular Weight: | 449.47 |
| Molecular Formula: | C23 H23 N5 O5 |
| Smiles: | CC1=C(C(c2ccc(cc2)C(=O)OC)n2c(N1)ncn2)C(Nc1ccc(cc1OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1345 |
| logD: | 3.132 |
| logSw: | -3.4515 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.731 |
| InChI Key: | ILKNDDOHDOFVQZ-FQEVSTJZSA-N |