N-[2-({[1-(2-methylpropyl)-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]thiophene-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]thiophene-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]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D439-6322 |
| 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]thiophene-2-carboxamide |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C21 H21 N5 O2 S2 |
| Smiles: | CC(C)CN1C=NC2=NC(CSc3ccccc3NC(c3cccs3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9973 |
| logD: | 2.994 |
| logSw: | -3.4828 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.929 |
| InChI Key: | HWPQCKKUWOVBHO-UHFFFAOYSA-N |