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 |