(5Z)-5-(1-hydroxyethylidene)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
(5Z)-5-(1-hydroxyethylidene)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
(5Z)-5-(1-hydroxyethylidene)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | 2203-2969 |
| Compound Name: | (5Z)-5-(1-hydroxyethylidene)-2-methyl-8-nitro-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 290.27 |
| Molecular Formula: | C14 H14 N2 O5 |
| Smiles: | C/C(=C1\C2CC(C)(NC1=O)Oc1ccc(cc12)[N+]([O-])=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5766 |
| logD: | 1.5757 |
| logSw: | -2.4067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.784 |
| InChI Key: | ZZUBPSOWZLWJDN-UHFFFAOYSA-N |