N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | C096-0142 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-[6-methyl-4-oxo-5-(piperidine-1-sulfonyl)thieno[2,3-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C21 H21 N5 O4 S3 |
| Smiles: | Cc1c(c2C(N(CC(Nc3nc4ccccc4s3)=O)C=Nc2s1)=O)S(N1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.968 |
| logD: | 2.9679 |
| logSw: | -3.2695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.863 |
| InChI Key: | PKMVBYUCHRDFEB-UHFFFAOYSA-N |