1-[4-(adamantan-1-yl)phenyl]-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-[4-(adamantan-1-yl)phenyl]-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-[4-(adamantan-1-yl)phenyl]-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: | 8015-1404 |
| Compound Name: | 1-[4-(adamantan-1-yl)phenyl]-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: | 641.73 |
| Molecular Formula: | C35 H39 N5 O7 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1ccc(cc1)N1C(C2(Cc3cc(c(cc3N3CCOCC23)N2CCOCC2)[N+]([O-])=O)C(NC1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.098 |
| logD: | 4.9535 |
| logSw: | -5.4604 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.071 |
| InChI Key: | XITGCIPGHFKDAW-UHFFFAOYSA-N |