2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L397-0603 |
| Compound Name: | 2-{1,5-dioxo-4-[(oxolan-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | Cc1ccc(CNC(CN2C(N3C(=N2)N(CC2CCCO2)C(c2c3ccs2)=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0712 |
| logD: | 2.0712 |
| logSw: | -2.6953 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.079 |
| InChI Key: | VBFJNVXWTZHPNS-MRXNPFEDSA-N |