3-(3-{[(5-methyl-1,3-benzoxazol-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-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | J021-0228 |
| Compound Name: | 3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C17 H16 N6 O3 S3 |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2nnc(SC)s2)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0717 |
| logD: | 4.0675 |
| logSw: | -4.0617 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.019 |
| InChI Key: | LWTNWVVJLOLCPU-UHFFFAOYSA-N |