N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G786-1716 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[6,8-dimethyl-5,7-dioxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C21 H23 N5 O5 S |
| Smiles: | CC(C)c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3023 |
| logD: | 2.3023 |
| logSw: | -3.0638 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.028 |
| InChI Key: | OWXNFDHGFXFSPD-UHFFFAOYSA-N |