N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G394-0183 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(c1c(C)c2c(ncnc2s1)N1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7415 |
| logD: | 2.277 |
| logSw: | -3.3526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.415 |
| InChI Key: | VUBZVWHZWJOJQW-HNNXBMFYSA-N |