methyl 4-{5-[({2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl}amino)methyl]furan-2-yl}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 4-{5-[({2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl}amino)methyl]furan-2-yl}benzoate--hydrogen chloride (1/1)
methyl 4-{5-[({2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl}amino)methyl]furan-2-yl}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D175-0202 |
| Compound Name: | methyl 4-{5-[({2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl}amino)methyl]furan-2-yl}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C18 H19 N5 O5 |
| Salt: | HCl |
| Smiles: | [H]N(CCNC(c1c(N)non1)=O)Cc1ccc(c2ccc(cc2)C(=O)OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.6409 |
| logD: | 1.3927 |
| logSw: | -1.9716 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.201 |
| InChI Key: | HHNWKOGYZKPQGQ-UHFFFAOYSA-N |