N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D433-0885 |
| Compound Name: | N-(4-fluorophenyl)-N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C18 H14 F N5 O2 S |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1cccs1)=O)c1ccc(cc1)F)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4259 |
| logD: | -0.2267 |
| logSw: | -2.9111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.365 |
| InChI Key: | NTOVUTKOTYRXRQ-UHFFFAOYSA-N |