3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Chemical Structure Depiction of
3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
Compound characteristics
| Compound ID: | K901-0926 |
| Compound Name: | 3-({7-[4-(2-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol |
| Molecular Weight: | 428.45 |
| Molecular Formula: | C20 H24 N6 O5 |
| Smiles: | COc1ccccc1N1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | ACHIRAL |
| logP: | 3.3351 |
| logD: | 3.335 |
| logSw: | -3.7102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.925 |
| InChI Key: | UWSQCUDXUIOGPO-UHFFFAOYSA-N |