2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0059 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]amino}-5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 430.89 |
| Molecular Formula: | C20 H23 Cl N6 O3 |
| Smiles: | CC1=C(CCC(N2CCOCC2)=O)C(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4828 |
| logD: | 1.4396 |
| logSw: | -2.7234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.921 |
| InChI Key: | HUKSAYKRCNLQES-UHFFFAOYSA-N |