6-[3-(azepan-1-yl)-3-oxopropyl]-5-methyl-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Chemical Structure Depiction of
6-[3-(azepan-1-yl)-3-oxopropyl]-5-methyl-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
6-[3-(azepan-1-yl)-3-oxopropyl]-5-methyl-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
Compound characteristics
| Compound ID: | D481-0169 |
| Compound Name: | 6-[3-(azepan-1-yl)-3-oxopropyl]-5-methyl-2-{[(thiophen-2-yl)methyl]amino}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C20 H26 N6 O2 S |
| Smiles: | CC1=C(CCC(N2CCCCCC2)=O)C(n2c(N1)nc(NCc1cccs1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5177 |
| logD: | 2.4745 |
| logSw: | -2.87 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.362 |
| InChI Key: | WUVHPEIWLVNIBT-UHFFFAOYSA-N |