3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | V023-4733 |
| Compound Name: | 3-[4-(cyclobutylmethoxy)-3-methoxyphenyl]-6-[3-oxo-3-(thiomorpholin-4-yl)propyl]-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C22 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCC1CCC1)C1NN=C(CCC(N2CCSCC2)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6632 |
| logD: | 1.6632 |
| logSw: | -2.4422 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.168 |
| InChI Key: | NYBMHZMPYLIIGQ-UHFFFAOYSA-N |