4-tert-butyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(thiophen-2-yl)methyl]benzamide
4-tert-butyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | D524-2597 |
| Compound Name: | 4-tert-butyl-N-(5,6-dimethyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | [H]C([H])(c1cccs1)N(C(c1ccc(cc1)C(C)(C)C)=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9259 |
| logD: | 4.5456 |
| logSw: | -4.5274 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.82 |
| InChI Key: | LATSRVYZSLIVIJ-UHFFFAOYSA-N |