5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0163 |
| Compound Name: | 5-methyl-6-[3-(morpholin-4-yl)-3-oxopropyl]-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C18 H22 N6 O3 S |
| Smiles: | CC1=C(CCC(N2CCOCC2)=O)C(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8631 |
| logD: | 0.8199 |
| logSw: | -2.1792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.94 |
| InChI Key: | SQFWLZUYJJKCDM-UHFFFAOYSA-N |