2-methyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one
2-methyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | V024-1153 |
| Compound Name: | 2-methyl-1-{4-[3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}propan-1-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C21 H22 N6 O S |
| Smiles: | CC(C)C(N1CCN(CC1)c1nc2ccccc2c2nnc(c3cccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6791 |
| logD: | 3.6405 |
| logSw: | -3.9571 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.739 |
| InChI Key: | JRJHSKWAEXRRML-UHFFFAOYSA-N |