N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide
Chemical Structure Depiction of
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | D524-2874 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]thiophene-2-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(c1cccs1)=O)C([H])([H])c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6495 |
| logD: | 5.4733 |
| logSw: | -5.7343 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.82 |
| InChI Key: | AVVQMOIXWURQJM-UHFFFAOYSA-N |