3-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Chemical Structure Depiction of
3-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
3-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol
Compound characteristics
| Compound ID: | K901-0923 |
| Compound Name: | 3-{[7-(3,5-dimethylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}propan-1-ol |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C16 H23 N5 O4 |
| Smiles: | CC1CC(C)CN(C1)c1cc(c(c2c1non2)[N+]([O-])=O)NCCCO |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3515 |
| logD: | 3.3515 |
| logSw: | -3.9025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.202 |
| InChI Key: | CATXQMXKCYAIEG-UHFFFAOYSA-N |