2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(3-chloro-4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(3-chloro-4-methylphenyl)acetamide
2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(3-chloro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K892-0336 |
| Compound Name: | 2-[6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-methyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]-N-(3-chloro-4-methylphenyl)acetamide |
| Molecular Weight: | 594.09 |
| Molecular Formula: | C29 H28 Cl N5 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C=Nc2c(C1=O)c(C)c(C(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)s2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1644 |
| logD: | 3.9795 |
| logSw: | -4.6429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.695 |
| InChI Key: | KZBXJPGDVKLWJH-UHFFFAOYSA-N |