N-(3-chloro-4-methoxyphenyl)-2-[4-(3-methylbutyl)-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-(3-chloro-4-methoxyphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide
N-(3-chloro-4-methoxyphenyl)-2-[4-(3-methylbutyl)-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: | L397-0230 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[4-(3-methylbutyl)-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl]acetamide |
| Molecular Weight: | 475.95 |
| Molecular Formula: | C21 H22 Cl N5 O4 S |
| Smiles: | CC(C)CCN1C2=NN(CC(Nc3ccc(c(c3)[Cl])OC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1146 |
| logD: | 4.1145 |
| logSw: | -4.4811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.983 |
| InChI Key: | NXKLIUWISPBUBX-UHFFFAOYSA-N |