methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate
methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D440-0260 |
| Compound Name: | methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)piperazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 374.35 |
| Molecular Formula: | C16 H18 N6 O5 |
| Smiles: | COC(c1ccccc1NC(N1CCN(CC1)C(c1c(N)non1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0117 |
| logD: | 1.0109 |
| logSw: | -2.0819 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.725 |
| InChI Key: | JZGONDQDZBHXKJ-UHFFFAOYSA-N |