N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]adamantane-1-carboxamide
Chemical Structure Depiction of
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]adamantane-1-carboxamide
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]adamantane-1-carboxamide
Compound characteristics
| Compound ID: | D439-6638 |
| Compound Name: | N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]adamantane-1-carboxamide |
| Molecular Weight: | 477.63 |
| Molecular Formula: | C26 H31 N5 O2 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(C34CC5CC(CC(C5)C4)C3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5121 |
| logD: | 4.3433 |
| logSw: | -4.2514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.301 |
| InChI Key: | KLORXCQANFVILF-UHFFFAOYSA-N |