3-(2-methoxyethyl)-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(2-methoxyethyl)-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione
3-(2-methoxyethyl)-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
Compound ID: | C190-0165 |
Compound Name: | 3-(2-methoxyethyl)-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]quinazoline-2,4(1H,3H)-dione |
Molecular Weight: | 453.45 |
Molecular Formula: | C22 H23 N5 O6 |
Smiles: | COCCN1C(c2ccc(cc2NC1=O)C(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.9421 |
logD: | 1.9418 |
logSw: | -2.8767 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 102.363 |
InChI Key: | IRHCQLOJOUYQDA-UHFFFAOYSA-N |