N-(2-{[(2-cyclopropyl-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-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
N-(2-{[(2-cyclopropyl-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: | G072-2013 |
| Compound Name: | N-(2-{[(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexanecarboxamide |
| Molecular Weight: | 497.66 |
| Molecular Formula: | C23 H23 N5 O2 S3 |
| Smiles: | C1CCC(CC1)C(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2732 |
| logD: | 5.2698 |
| logSw: | -5.3413 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.887 |
| InChI Key: | NYOZULMQULCOOU-UHFFFAOYSA-N |