5-{[(3-hexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[(3-hexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{[(3-hexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | C248-0201 |
Compound Name: | 5-{[(3-hexyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 479.49 |
Molecular Formula: | C23 H25 N7 O5 |
Smiles: | [H]C(=C1C(N(C)C(N(C)C1=O)=O)=O)Nc1c([H])cc2c(c1[H])nc1c(C(N(CCCCCC)C(N1[H])=O)=O)n2 |
Stereo: | ACHIRAL |
logP: | 3.1472 |
logD: | 1.7911 |
logSw: | -3.2833 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 115.588 |
InChI Key: | CFMMPIHPYSHGST-UHFFFAOYSA-N |