2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
Compound ID: | C091-0227 |
Compound Name: | 2-{[7-(4-ethylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
Molecular Weight: | 336.35 |
Molecular Formula: | C14 H20 N6 O4 |
Smiles: | CCN1CCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCO |
Stereo: | ACHIRAL |
logP: | 1.8775 |
logD: | 1.458 |
logSw: | -2.1893 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.872 |
InChI Key: | RVLSSRZQMGPCNI-UHFFFAOYSA-N |