N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Chemical Structure Depiction of
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide
Compound characteristics
| Compound ID: | G072-1991 |
| Compound Name: | N-(2-{[(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-methylpropanamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C21 H23 N5 O2 S3 |
| Smiles: | CCCCC1=NN2C(=NC(CSc3nc4ccc(cc4s3)NC(C(C)C)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.237 |
| logD: | 5.2366 |
| logSw: | -4.9402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.618 |
| InChI Key: | UMTVZURDMVVQDR-UHFFFAOYSA-N |