2-({7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Chemical Structure Depiction of
2-({7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
2-({7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol
Compound characteristics
| Compound ID: | C091-0066 |
| Compound Name: | 2-({7-[4-(3-methoxyphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethan-1-ol |
| Molecular Weight: | 414.42 |
| Molecular Formula: | C19 H22 N6 O5 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
| Stereo: | ACHIRAL |
| logP: | 3.4579 |
| logD: | 3.4579 |
| logSw: | -3.9017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.139 |
| InChI Key: | VRZQLIOALFKEJJ-UHFFFAOYSA-N |