N-[amino(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[amino(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-4-nitrobenzamide
N-[amino(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 8006-2455 |
| Compound Name: | N-[amino(4,4-dimethyl-2,6-dioxocyclohexylidene)methyl]-4-nitrobenzamide |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C16 H17 N3 O5 |
| Smiles: | CC1(C)CC(C(=C(N)NC(c2ccc(cc2)[N+]([O-])=O)=O)C(C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1257 |
| logD: | -1.2545 |
| logSw: | -2.3047 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.144 |
| InChI Key: | FVCBOULUUSFYIA-UHFFFAOYSA-N |