2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Chemical Structure Depiction of
2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Compound characteristics
| Compound ID: | K786-2838 |
| Compound Name: | 2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C16 H18 N6 O5 S |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nccn1C |
| Stereo: | ACHIRAL |
| logP: | 3.3986 |
| logD: | 3.3966 |
| logSw: | -3.923 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.628 |
| InChI Key: | AYPWDUGRNFDGTN-UHFFFAOYSA-N |