2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Chemical Structure Depiction of
2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate
Compound characteristics
| Compound ID: | K786-2852 |
| Compound Name: | 2-({4-nitro-7-[(propan-2-yl)sulfanyl]-2,1,3-benzoxadiazol-5-yl}amino)ethyl butanoate |
| Molecular Weight: | 368.41 |
| Molecular Formula: | C15 H20 N4 O5 S |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.4373 |
| logD: | 4.4373 |
| logSw: | -4.3223 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.981 |
| InChI Key: | FMXMCWBCKWVDQL-UHFFFAOYSA-N |