N-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K913-0094 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C26 H25 N5 O4 S |
| Smiles: | Cc1c2c(ncnc2sc1C(Nc1ccc2c(c1)OCO2)=O)N1CCN(CC1)c1ccccc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0418 |
| logD: | 5.0362 |
| logSw: | -4.8817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.335 |
| InChI Key: | RVGQATSRRTUUAW-UHFFFAOYSA-N |