3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | J021-0064 |
| Compound Name: | 3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C16 H14 N6 O2 S4 |
| Smiles: | CSc1nnc(NC(CCc2nc(CSc3nc4ccccc4s3)no2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3904 |
| logD: | 4.3861 |
| logSw: | -4.2475 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.437 |
| InChI Key: | AQMZXZWKUMEGOM-UHFFFAOYSA-N |