N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | G072-1164 |
| Compound Name: | N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 440.54 |
| Molecular Formula: | C21 H20 N4 O3 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3ccccc3NC(c3ccco3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.0018 |
| logD: | 4.0006 |
| logSw: | -4.1615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.146 |
| InChI Key: | TVXZRHBESKEPGG-UHFFFAOYSA-N |