2-{[7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Chemical Structure Depiction of
2-{[7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
2-{[7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol
Compound characteristics
| Compound ID: | K901-0450 |
| Compound Name: | 2-{[7-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl](methyl)amino}ethan-1-ol |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C16 H21 N5 O6 |
| Smiles: | CN(CCO)c1cc(c2c(c1[N+]([O-])=O)non2)N1CCC2(CC1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.6714 |
| logD: | 1.6714 |
| logSw: | -1.7348 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.026 |
| InChI Key: | OTWGZOUDVUOAQU-UHFFFAOYSA-N |