N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | D439-6323 |
| Compound Name: | N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]furan-2-carboxamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(c3ccco3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3573 |
| logD: | 2.3539 |
| logSw: | -2.7778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.489 |
| InChI Key: | GLEDVPQCJUWPQQ-UHFFFAOYSA-N |