2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Chemical Structure Depiction of
2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate
Compound characteristics
| Compound ID: | K786-2861 |
| Compound Name: | 2-({7-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propanoate |
| Molecular Weight: | 392.39 |
| Molecular Formula: | C15 H16 N6 O5 S |
| Smiles: | CCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1nccn1C |
| Stereo: | ACHIRAL |
| logP: | 2.9306 |
| logD: | 2.9286 |
| logSw: | -3.4424 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.628 |
| InChI Key: | INGBPGPHKBRDPO-UHFFFAOYSA-N |