butyl 5-(5-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}furan-2-yl)-2-chlorobenzoate
Chemical Structure Depiction of
butyl 5-(5-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}furan-2-yl)-2-chlorobenzoate
butyl 5-(5-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}furan-2-yl)-2-chlorobenzoate
Compound characteristics
| Compound ID: | Y508-1204 |
| Compound Name: | butyl 5-(5-{[(5-amino-1H-tetrazol-1-yl)imino]methyl}furan-2-yl)-2-chlorobenzoate |
| Molecular Weight: | 388.81 |
| Molecular Formula: | C17 H17 Cl N6 O3 |
| Smiles: | CCCCOC(c1cc(ccc1[Cl])c1ccc(/C=N/n2c(N)nnn2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7368 |
| logD: | 3.7368 |
| logSw: | -4.2093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.417 |
| InChI Key: | AWAVOQIGVSCQIG-UHFFFAOYSA-N |