ethyl (4-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}phenyl)acetate
Chemical Structure Depiction of
ethyl (4-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}phenyl)acetate
ethyl (4-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | D440-0230 |
| Compound Name: | ethyl (4-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}phenyl)acetate |
| Molecular Weight: | 416.44 |
| Molecular Formula: | C19 H24 N6 O5 |
| Smiles: | CCOC(Cc1ccc(cc1)NC(N1CCCN(CC1)C(c1c(N)non1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2146 |
| logD: | 1.2146 |
| logSw: | -2.0804 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.738 |
| InChI Key: | SMVZLFQUORZICZ-UHFFFAOYSA-N |