methyl 2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
methyl 2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | K913-0063 |
| Compound Name: | methyl 2-({4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carbonyl}amino)benzoate |
| Molecular Weight: | 517.61 |
| Molecular Formula: | C27 H27 N5 O4 S |
| Smiles: | Cc1c2c(ncnc2sc1C(Nc1ccccc1C(=O)OC)=O)N1CCN(CC1)c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1314 |
| logD: | 4.4045 |
| logSw: | -5.1232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.696 |
| InChI Key: | BGTUOYSCLWTXPF-UHFFFAOYSA-N |