N-[(4-chlorophenyl)methyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
N-[(4-chlorophenyl)methyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | L397-0743 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-{4-[(furan-2-yl)methyl]-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}acetamide |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C21 H16 Cl N5 O4 S |
| Smiles: | C(c1ccc(cc1)[Cl])NC(CN1C(N2C(=N1)N(Cc1ccco1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0532 |
| logD: | 3.0532 |
| logSw: | -3.4988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.174 |
| InChI Key: | WPKBKXCFUOOTTI-UHFFFAOYSA-N |