N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(4-methylpiperazin-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-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G394-0142 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | Cc1c2c(ncnc2sc1C(NCc1ccc2c(c1)OCO2)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.101 |
| logD: | 2.6366 |
| logSw: | -3.4594 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.544 |
| InChI Key: | SKLDWEBZIKIKDK-UHFFFAOYSA-N |