6-[(3-ethylphenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[(3-ethylphenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
6-[(3-ethylphenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | V024-3066 |
| Compound Name: | 6-[(3-ethylphenoxy)acetyl]-4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C30 H33 N3 O6 |
| Salt: | not_available |
| Smiles: | CCc1cccc(c1)OCC(c1ccc2c(c1)N(Cc1ccc(C(N3CCN(CC)CC3)=O)o1)C(CO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.674 |
| logD: | 3.5016 |
| logSw: | -3.9004 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.569 |
| InChI Key: | JCQQNYSTQWQLME-UHFFFAOYSA-N |