5-{[(3-butyl-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-butyl-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-butyl-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: | C248-0168 |
| Compound Name: | 5-{[(3-butyl-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: | 451.44 |
| Molecular Formula: | C21 H21 N7 O5 |
| Smiles: | [H]C(=C1C(N(C)C(N(C)C1=O)=O)=O)Nc1c([H])cc2c(c1[H])nc1c(C(N(CCCC)C(N1[H])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.0038 |
| logD: | 0.6478 |
| logSw: | -2.7461 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.588 |
| InChI Key: | NZYAAESWVRIMOZ-UHFFFAOYSA-N |