4-(7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)-2,6-dimethoxyphenyl acetate
Chemical Structure Depiction of
4-(7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)-2,6-dimethoxyphenyl acetate
4-(7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)-2,6-dimethoxyphenyl acetate
Compound characteristics
| Compound ID: | D359-0423 |
| Compound Name: | 4-(7,9-dimethyl-8,10-dioxo-5,6,7,8,9,10-hexahydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxalin-6-yl)-2,6-dimethoxyphenyl acetate |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C25 H24 N4 O6 |
| Smiles: | CC(=O)Oc1c(cc(cc1OC)C1c2c3c(cn2c2ccccc2N1)C(N(C)C(N3C)=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0574 |
| logD: | 3.0574 |
| logSw: | -3.5887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.774 |
| InChI Key: | SNFIJUPJADKLLV-HXUWFJFHSA-N |