N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D433-0785 |
| Compound Name: | N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C19 H17 N5 O2 S |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1cccs1)=O)c1ccc(C)cc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8202 |
| logD: | 0.1676 |
| logSw: | -3.3208 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.365 |
| InChI Key: | ZXJWGEIXEJSZCF-UHFFFAOYSA-N |