1-{4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V003-5831 |
| Compound Name: | 1-{4-[8-chloro-3-(2-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 519.02 |
| Molecular Formula: | C26 H23 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1c1nnc2c3ccc(cc3nc(N3CCN(CC3)C(Cc3cccs3)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6428 |
| logD: | 3.9038 |
| logSw: | -4.8897 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.571 |
| InChI Key: | AULKJSGMUOBBLJ-UHFFFAOYSA-N |