N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | T480-0726 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | Cc1c2c(nc(C(NCc3ccc4c(c3)OCO4)=O)nc2cs1)N1CCSCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7662 |
| logD: | 3.7662 |
| logSw: | -4.1312 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.457 |
| InChI Key: | VHQCPVGZQQVTTM-UHFFFAOYSA-N |