2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
Chemical Structure Depiction of
2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate
Compound characteristics
| Compound ID: | K786-2847 |
| Compound Name: | 2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl butanoate |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C17 H18 N4 O6 S |
| Smiles: | CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 4.4902 |
| logD: | 4.4902 |
| logSw: | -4.3607 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.458 |
| InChI Key: | AFPCFKRBRCPEOR-UHFFFAOYSA-N |