2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | J084-0424 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | COc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9468 |
| logD: | 2.9434 |
| logSw: | -3.086 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.155 |
| InChI Key: | VDZFBKQGASMSKO-UHFFFAOYSA-N |