2-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
2-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Compound characteristics
| Compound ID: | K901-0429 |
| Compound Name: | 2-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol |
| Molecular Weight: | 335.36 |
| Molecular Formula: | C15 H21 N5 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1047 |
| logD: | 3.1047 |
| logSw: | -3.3892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.92 |
| InChI Key: | LNJCFEGHFVYEAQ-UHFFFAOYSA-N |