N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
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)-3-methylbutanamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | G072-1934 |
| 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)-3-methylbutanamide |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C20 H21 N5 O2 S3 |
| Smiles: | CCC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(CC(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.7187 |
| logD: | 4.7155 |
| logSw: | -4.4772 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.405 |
| InChI Key: | PUYATPDYSZXPEC-UHFFFAOYSA-N |