N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide
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-[(3-chlorophenyl)methyl]cyclohexanecarboxamide
N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide
Compound characteristics
| Compound ID: | D614-0425 |
| Compound Name: | N-(6-butyl-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[(3-chlorophenyl)methyl]cyclohexanecarboxamide |
| Molecular Weight: | 455.99 |
| Molecular Formula: | C24 H30 Cl N5 O2 |
| Smiles: | [H]C([H])(CCC)C1=C(C)Nc2nc(nn2C1=O)N(C(C1CCCCC1)=O)C([H])([H])c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1787 |
| logD: | 6.1314 |
| logSw: | -5.9213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.993 |
| InChI Key: | AESGRNCREPEYSO-UHFFFAOYSA-N |