4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(2-methylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(2-methylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(2-methylphenoxy)acetyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
Compound ID: | V024-2999 |
Compound Name: | 4-{[5-(4-ethylpiperazine-1-carbonyl)furan-2-yl]methyl}-6-[(2-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(COc2ccccc2C)=O)=O)o1)=O |
Stereo: | ACHIRAL |
logP: | 3.2164 |
logD: | 3.0439 |
logSw: | -3.4247 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 72.656 |
InChI Key: | WYDKKLSBCHSUMC-UHFFFAOYSA-N |