1-benzyl-5-{[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-benzyl-5-{[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-diazinane-2,4,6-trione
1-benzyl-5-{[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C248-0067 |
| Compound Name: | 1-benzyl-5-{[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 485.46 |
| Molecular Formula: | C24 H19 N7 O5 |
| Smiles: | [H]C(=C1/C(N([H])C(N(Cc2ccccc2)C1=O)=O)=O)\Nc1c([H])cc2c(c1[H])nc1c(C(N(C)C(N1C)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.3501 |
| logD: | 1.6992 |
| logSw: | -3.0483 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.783 |
| InChI Key: | CTBQKGDAZLTQNP-UHFFFAOYSA-N |