N-(2,4-dimethoxyphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
N-(2,4-dimethoxyphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
Compound characteristics
| Compound ID: | D481-0187 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-3-(5-methyl-7-oxo-2-{[(thiophen-2-yl)methyl]amino}-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C22 H24 N6 O4 S |
| Smiles: | CC1=C(CCC(Nc2ccc(cc2OC)OC)=O)C(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.474 |
| logD: | 2.4308 |
| logSw: | -2.9745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.264 |
| InChI Key: | XCDJISNLTQALQX-UHFFFAOYSA-N |