N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K823-2001 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-[4-(pyridin-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C26 H26 N6 O3 S |
| Smiles: | Cc1c2c(nc(C)nc2sc1C(Nc1ccc2c(c1)OCCO2)=O)N1CCN(CC1)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0992 |
| logD: | 4.0661 |
| logSw: | -4.3535 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.599 |
| InChI Key: | BNVNWOHPYBQSNL-UHFFFAOYSA-N |