1-[1-(adamantan-1-yl)ethyl]-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
Chemical Structure Depiction of
1-[1-(adamantan-1-yl)ethyl]-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
1-[1-(adamantan-1-yl)ethyl]-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione
Compound characteristics
| Compound ID: | 8016-9927 |
| Compound Name: | 1-[1-(adamantan-1-yl)ethyl]-9'-(morpholin-4-yl)-8'-nitro-1',2',4',4'a-tetrahydro-6'H-spiro[[1,3]diazinane-5,5'-[1,4]oxazino[4,3-a]quinoline]-2,4,6-trione |
| Molecular Weight: | 593.68 |
| Molecular Formula: | C31 H39 N5 O7 |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(C)N1C(C2(Cc3cc(c(cc3N3CCOCC23)N2CCOCC2)[N+]([O-])=O)C(NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7786 |
| logD: | 3.7704 |
| logSw: | -4.2481 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.295 |
| InChI Key: | LGFPKEPPOVZXMQ-UHFFFAOYSA-N |