N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-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-phenyl-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-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G786-1746 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(6,8-dimethyl-5,7-dioxo-2-phenyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C24 H21 N5 O5 S |
| Smiles: | CN1C(c2c(nc(c3ccccc3)nc2SCC(Nc2ccc3c(c2)OCCO3)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4203 |
| logD: | 3.4202 |
| logSw: | -3.9547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.756 |
| InChI Key: | RFBVBWNSNLLNPR-UHFFFAOYSA-N |