ethyl 2-{[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
ethyl 2-{[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K913-0327 |
| Compound Name: | ethyl 2-{[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 501.61 |
| Molecular Formula: | C27 H27 N5 O3 S |
| Smiles: | CCOC(c1ccccc1NC(c1c(C)c2c(ncnc2s1)N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6744 |
| logD: | 4.9474 |
| logSw: | -5.7865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.946 |
| InChI Key: | KOYFIFKYJXZENA-UHFFFAOYSA-N |