N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G394-0863 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CCCN1CCN(CC1)c1c2c(C)c(C(NCc3ccc4c(c3)OCO4)=O)sc2ncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9132 |
| logD: | 3.3281 |
| logSw: | -4.0326 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.858 |
| InChI Key: | JAHGUFIJUQKPBU-UHFFFAOYSA-N |