methyl 4-{[6-methyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-methyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-5-carbonyl]amino}benzoate
methyl 4-{[6-methyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P058-0353 |
| Compound Name: | methyl 4-{[6-methyl-4-(piperidin-1-yl)thieno[2,3-d]pyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C21 H22 N4 O3 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)C(=O)OC)=O)c2c(ncnc2s1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.7573 |
| logD: | 4.7572 |
| logSw: | -4.8239 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.804 |
| InChI Key: | JYVVRUBKSVEMRZ-UHFFFAOYSA-N |