methyl 3-{[5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carbonyl]amino}benzoate
methyl 3-{[5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | T480-0707 |
| Compound Name: | methyl 3-{[5-methyl-4-(thiomorpholin-4-yl)thieno[3,4-d]pyrimidine-2-carbonyl]amino}benzoate |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | Cc1c2c(nc(C(Nc3cccc(c3)C(=O)OC)=O)nc2cs1)N1CCSCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4516 |
| logD: | 4.4515 |
| logSw: | -4.5068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.193 |
| InChI Key: | ZTBBUMYDYLIUEU-UHFFFAOYSA-N |