4-chloro-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-chloro-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-chloro-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: | D524-2587 |
| Compound Name: | 4-chloro-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: | 413.88 |
| Molecular Formula: | C19 H16 Cl N5 O2 S |
| Smiles: | [H]C([H])(c1cccs1)N(C(c1ccc(cc1)[Cl])=O)c1nc2NC(C)=C(C)C(n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7261 |
| logD: | 3.3458 |
| logSw: | -4.3995 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.82 |
| InChI Key: | AATFGFAKRCGQBF-UHFFFAOYSA-N |