N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Chemical Structure Depiction of
N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Compound characteristics
| Compound ID: | G072-1976 |
| Compound Name: | N-[2-({[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C21 H23 N5 O2 S3 |
| Smiles: | CCCC(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1215 |
| logD: | 5.1203 |
| logSw: | -4.9597 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.405 |
| InChI Key: | PKHHGWUWMAYXNP-UHFFFAOYSA-N |