methyl 2-({4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
methyl 2-({4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K913-0176 |
| Compound Name: | methyl 2-({4-[4-(2-fluorophenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C26 H24 F N5 O3 S |
| Smiles: | Cc1c2c(ncnc2sc1C(Nc1ccccc1C(=O)OC)=O)N1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.3092 |
| logD: | 4.5823 |
| logSw: | -5.4459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.065 |
| InChI Key: | NKRBRXSCTNUXRO-UHFFFAOYSA-N |