3-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Chemical Structure Depiction of
3-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
3-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl}sulfanyl)-1,3-benzothiazol-6-yl]butanamide
Compound characteristics
| Compound ID: | G072-1910 |
| Compound Name: | 3-methyl-N-[2-({[5-oxo-2-(propan-2-yl)-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: | CC(C)CC(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(=N1)SC(C(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.173 |
| logD: | 5.169 |
| logSw: | -4.9968 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.502 |
| InChI Key: | QNHYCVHBZICKBQ-UHFFFAOYSA-N |