1-(6-chloro-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-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butane-1,4-dione
1-(6-chloro-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: | E015-0046 |
| Compound Name: | 1-(6-chloro-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]butane-1,4-dione |
| Molecular Weight: | 415.88 |
| Molecular Formula: | C20 H22 Cl N5 O3 |
| Smiles: | C(CC(N1CCOc2ccc(cc12)[Cl])=O)C(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0696 |
| logD: | 2.0696 |
| logSw: | -2.7456 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.99 |
| InChI Key: | MDOUOSRZGFHTER-UHFFFAOYSA-N |