5-{4-[(6-chloro-2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{4-[(6-chloro-2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
5-{4-[(6-chloro-2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | F667-0193 |
| Compound Name: | 5-{4-[(6-chloro-2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl}-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 489.96 |
| Molecular Formula: | C23 H28 Cl N5 O5 |
| Smiles: | CCC1C(N(CC(N2CCN(CC2)C2=C(C)N(C)C(N(C)C2=O)=O)=O)c2cc(ccc2O1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0049 |
| logD: | 2.0021 |
| logSw: | -2.7817 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.441 |
| InChI Key: | AHCJMSVOLXCEPW-QGZVFWFLSA-N |