N-(4-chloro-2-methoxy-5-methylphenyl)-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-chloro-2-methoxy-5-methylphenyl)-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-chloro-2-methoxy-5-methylphenyl)-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: | L397-0718 |
| Compound Name: | N-(4-chloro-2-methoxy-5-methylphenyl)-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: | 499.93 |
| Molecular Formula: | C22 H18 Cl N5 O5 S |
| Smiles: | Cc1cc(c(cc1[Cl])OC)NC(CN1C(N2C(=N1)N(Cc1ccco1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8317 |
| logD: | 3.831 |
| logSw: | -4.2208 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.784 |
| InChI Key: | NIMXNWOHIWCUPQ-UHFFFAOYSA-N |