3-(benzenesulfonyl)-1-(butan-2-yl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-(butan-2-yl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
3-(benzenesulfonyl)-1-(butan-2-yl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Compound characteristics
| Compound ID: | 5611-2001 |
| Compound Name: | 3-(benzenesulfonyl)-1-(butan-2-yl)-2-imino-8-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CCC(C)N1C2=C(C=C(C1=N)S(c1ccccc1)(=O)=O)C(N1C=C(C)C=CC1=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6868 |
| logD: | 2.5078 |
| logSw: | -3.0719 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.866 |
| InChI Key: | BHTYCAOUJRIUIW-HNNXBMFYSA-N |