N-(3-methylbutyl)-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-methylbutyl)-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-methylbutyl)-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: | L397-0257 |
| Compound Name: | N-(3-methylbutyl)-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: | 405.52 |
| Molecular Formula: | C19 H27 N5 O3 S |
| Smiles: | CC(C)CCNC(CN1C(N2C(=N1)N(CCC(C)C)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0493 |
| logD: | 3.0493 |
| logSw: | -3.3408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.788 |
| InChI Key: | LKRMGXPPTINYKW-UHFFFAOYSA-N |