methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate
methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | D440-0213 |
| Compound Name: | methyl 2-{[4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-1,4-diazepane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 388.38 |
| Molecular Formula: | C17 H20 N6 O5 |
| Smiles: | COC(c1ccccc1NC(N1CCCN(CC1)C(c1c(N)non1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.28 |
| logD: | 1.2791 |
| logSw: | -2.0541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.056 |
| InChI Key: | SKRXDOIHVXIHIN-UHFFFAOYSA-N |