3-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K784-6218 |
| Compound Name: | 3-({7-[(2-tert-butyl-6-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | Cc1cccc(c1Sc1cc(c(c2c1non2)[N+]([O-])=O)NCCCO)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.0285 |
| logD: | 5.0285 |
| logSw: | -4.6409 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.912 |
| InChI Key: | VFYXZWKPZJFZPP-UHFFFAOYSA-N |