N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide
N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D481-0776 |
| Compound Name: | N-[7-(2-chloro-6-fluorophenyl)-5-(4-chlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide |
| Molecular Weight: | 522.81 |
| Molecular Formula: | C22 H14 Cl2 F N5 O S |
| Salt: | HCl |
| Smiles: | C1C(c2c(cccc2[Cl])F)n2c(NC=1c1ccc(cc1)[Cl])nc(NC(c1cccs1)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8951 |
| logD: | 5.8915 |
| logSw: | -6.1684 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.903 |
| InChI Key: | ZMZGNBCZMYVIDP-KRWDZBQOSA-N |