methyl 6-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Chemical Structure Depiction of
methyl 6-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
methyl 6-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate
Compound characteristics
| Compound ID: | E213-0852 |
| Compound Name: | methyl 6-[(3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carbonyl)amino]-2H-1,3-benzodioxole-5-carboxylate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | Cc1c2C(N3CCCCC3=Nc2sc1C(Nc1cc2c(cc1C(=O)OC)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5802 |
| logD: | 0.0718 |
| logSw: | -3.0233 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.974 |
| InChI Key: | GDRSHQSQAVCCHR-UHFFFAOYSA-N |