3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | J021-0285 |
| Compound Name: | 3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C16 H13 Cl N6 O3 S2 |
| Smiles: | Cc1nnc(NC(CCc2nc(CSc3nc4cc(ccc4o3)[Cl])no2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1596 |
| logD: | 3.069 |
| logSw: | -3.6116 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.465 |
| InChI Key: | BMEJRNMNLFHOFH-UHFFFAOYSA-N |