N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Chemical Structure Depiction of
N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
Compound characteristics
| Compound ID: | G072-1982 |
| Compound Name: | N-[5-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C17 H16 N6 O3 S3 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nnc(NC(c4ccco4)=O)s3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7867 |
| logD: | 3.7689 |
| logSw: | -4.0356 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.75 |
| InChI Key: | IIROBHLMOXQOLI-UHFFFAOYSA-N |