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)furan-2-carboxamide
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)furan-2-carboxamide
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)furan-2-carboxamide
Compound characteristics
| Compound ID: | G647-2954 |
| 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)furan-2-carboxamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C20 H16 N6 O3 S2 |
| Smiles: | CCC1NC2=NC(CSc3nc4ccc(cc4s3)NC(c3ccco3)=O)=CC(N2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2893 |
| logD: | 3.2893 |
| logSw: | -3.5508 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.956 |
| InChI Key: | SCNYBBKUIBFPCB-UHFFFAOYSA-N |