4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(4-methylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(4-methylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(4-methylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V024-1169 |
| Compound Name: | 4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(4-methylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C29 H31 N3 O6 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CN2C(COc3ccc(cc23)C(COc2ccc(C)cc2)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1651 |
| logD: | 2.9926 |
| logSw: | -3.2622 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.569 |
| InChI Key: | YQUOLJRQKLCWHE-UHFFFAOYSA-N |