1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butane-1,4-dione
Chemical Structure Depiction of
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butane-1,4-dione
1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butane-1,4-dione
Compound characteristics
| Compound ID: | E015-0958 |
| Compound Name: | 1-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butane-1,4-dione |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CCC(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9449 |
| logD: | 1.9449 |
| logSw: | -2.2154 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.99 |
| InChI Key: | CXPGIWOLAHCYTB-UHFFFAOYSA-N |