ethyl 2-{[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 2-{[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
ethyl 2-{[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G394-0076 |
| Compound Name: | ethyl 2-{[5-methyl-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: | CCOC(c1ccccc1NC(c1c(C)c2c(ncnc2s1)N1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8572 |
| logD: | 3.8572 |
| logSw: | -4.0298 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.162 |
| InChI Key: | YXSNEZRTSPBEJZ-UHFFFAOYSA-N |