1-(3-{[2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]amino}phenyl)ethan-1-one
1-(3-{[2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | G702-1186 |
| Compound Name: | 1-(3-{[2-(thiophen-2-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]amino}phenyl)ethan-1-one |
| Molecular Weight: | 389.48 |
| Molecular Formula: | C21 H19 N5 O S |
| Smiles: | CC(c1cccc(c1)NC1=C2CCCCC2=Nc2nc(c3cccs3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5031 |
| logD: | 4.5022 |
| logSw: | -4.332 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.738 |
| InChI Key: | SPRILPZGOWPHCK-UHFFFAOYSA-N |