6-[(4-chlorophenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[(4-chlorophenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
6-[(4-chlorophenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V019-0382 |
| Compound Name: | 6-[(4-chlorophenoxy)acetyl]-4-[4-(4-ethylpiperazin-1-yl)-4-oxobutyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 499.99 |
| Molecular Formula: | C26 H30 Cl N3 O5 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(CCCN1C(COc2ccc(cc12)C(COc1ccc(cc1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1383 |
| logD: | 1.8178 |
| logSw: | -3.0716 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.45 |
| InChI Key: | AJRIYTNWOPCWGX-UHFFFAOYSA-N |