2-{methyl[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Chemical Structure Depiction of
2-{methyl[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
2-{methyl[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol
Compound characteristics
| Compound ID: | C091-0100 |
| Compound Name: | 2-{methyl[4-nitro-7-(pyrrolidin-1-yl)-2,1,3-benzoxadiazol-5-yl]amino}ethan-1-ol |
| Molecular Weight: | 307.31 |
| Molecular Formula: | C13 H17 N5 O4 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.254 |
| logD: | 2.254 |
| logSw: | -2.1937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.955 |
| InChI Key: | OIOAUQPKPXZZJD-UHFFFAOYSA-N |