8,8'-(4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diyl)bis(1,4-dioxa-8-azaspiro[4.5]decane)
Chemical Structure Depiction of
8,8'-(4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diyl)bis(1,4-dioxa-8-azaspiro[4.5]decane)
8,8'-(4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diyl)bis(1,4-dioxa-8-azaspiro[4.5]decane)
Compound characteristics
| Compound ID: | 4872-0621 |
| Compound Name: | 8,8'-(4-chloro-2,4-dinitrobuta-1,3-diene-1,1-diyl)bis(1,4-dioxa-8-azaspiro[4.5]decane) |
| Molecular Weight: | 460.87 |
| Molecular Formula: | C18 H25 Cl N4 O8 |
| Smiles: | C1CN(CCC12OCCO2)C(=C(/C=C(/[N+]([O-])=O)[Cl])[N+]([O-])=O)N1CCC2(CC1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 1.4618 |
| logD: | 1.4618 |
| logSw: | -2.2367 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.884 |
| InChI Key: | YEYXRWHYHITHSS-UHFFFAOYSA-N |