2-{[7-(cyclohexylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(cyclohexylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{[7-(cyclohexylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | K784-6197 |
| Compound Name: | 2-{[7-(cyclohexylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
| Molecular Weight: | 338.38 |
| Molecular Formula: | C14 H18 N4 O4 S |
| Smiles: | C1CCC(CC1)Sc1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 3.937 |
| logD: | 3.937 |
| logSw: | -3.9785 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.104 |
| InChI Key: | IDWSHFYLGQLARD-UHFFFAOYSA-N |