N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G072-1938 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C22 H23 N5 O2 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(C3CCCCC3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.024 |
| logD: | 5.0207 |
| logSw: | -4.621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.539 |
| InChI Key: | OHVIQODNZJWULM-UHFFFAOYSA-N |