methyl 2-{[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
methyl 2-{[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K823-2467 |
| Compound Name: | methyl 2-{[2,5-dimethyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | Cc1c2c(nc(C)nc2sc1C(Nc1ccccc1C(=O)OC)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5646 |
| logD: | 3.5646 |
| logSw: | -3.9712 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.956 |
| InChI Key: | KODWRQIYTMZLGB-UHFFFAOYSA-N |