N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Chemical Structure Depiction of
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | E596-0082 |
| Compound Name: | N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C24 H30 N6 O3 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(NCCN(Cc3ccco3)C3CCCC3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5748 |
| logD: | 1.0276 |
| logSw: | -2.4263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.016 |
| InChI Key: | HLJPXYNUWRBYQT-UHFFFAOYSA-N |