4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | G818-0137 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 343.36 |
| Molecular Formula: | C16 H13 N3 O4 S |
| Smiles: | Cc1c2c(NCc3ccc4c(c3)OCO4)ncnc2sc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6027 |
| logD: | -1.6682 |
| logSw: | -2.8942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.551 |
| InChI Key: | HCNTXHRALYJBTB-UHFFFAOYSA-N |