N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | G647-2978 |
| Compound Name: | N-(2-{[(2-ethyl-7-oxo-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-phenylpropanamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C24 H22 N6 O2 S2 |
| Smiles: | CCC1NC2=NC(CSc3nc4ccc(cc4s3)NC(CCc3ccccc3)=O)=CC(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3928 |
| logD: | 4.3928 |
| logSw: | -4.3537 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.165 |
| InChI Key: | UBVQBISFQMMINO-UHFFFAOYSA-N |