2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate
Chemical Structure Depiction of
2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate
2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate
Compound characteristics
| Compound ID: | K786-1542 |
| Compound Name: | 2-[(7-{[(furan-2-yl)methyl]sulfanyl}-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethyl acetate |
| Molecular Weight: | 378.36 |
| Molecular Formula: | C15 H14 N4 O6 S |
| Smiles: | CC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccco1 |
| Stereo: | ACHIRAL |
| logP: | 3.5861 |
| logD: | 3.5861 |
| logSw: | -3.8533 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.155 |
| InChI Key: | MBLGEEKSFMHNPQ-UHFFFAOYSA-N |