5-{[(3-hexyl-7-methyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1-methyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[(3-hexyl-7-methyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1-methyl-1,3-diazinane-2,4,6-trione
5-{[(3-hexyl-7-methyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1-methyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C248-0213 |
| Compound Name: | 5-{[(3-hexyl-7-methyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1-methyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C23 H25 N7 O5 |
| Smiles: | [H]C(=C1\C(N([H])C(N(C)C1=O)=O)=O)\Nc1c(C)cc2c(c1[H])nc1c(C(N(CCCCCC)C(N1[H])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.0642 |
| logD: | 1.9889 |
| logSw: | -3.1274 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.804 |
| InChI Key: | KYYTVPXOFOJZNQ-UHFFFAOYSA-N |