6-[(3-ethylphenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[(3-ethylphenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
6-[(3-ethylphenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V013-7742 |
| Compound Name: | 6-[(3-ethylphenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C28 H35 N3 O5 |
| Smiles: | CCc1cccc(c1)OCC(c1ccc2c(c1)N(CCCC(N1CCN(CC)CC1)=O)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4759 |
| logD: | 2.1554 |
| logSw: | -2.6326 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.45 |
| InChI Key: | WJJKQMNGJUCNSS-UHFFFAOYSA-N |