3-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
3-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y031-0680 |
| Compound Name: | 3-chloro-N-[5-(pentan-2-yl)-1,3,4-thiadiazol-2-yl]-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 365.9 |
| Molecular Formula: | C16 H16 Cl N3 O S2 |
| Smiles: | CCCC(C)c1nnc(NC(c2c(c3ccccc3s2)[Cl])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6043 |
| logD: | 4.6817 |
| logSw: | -5.8275 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.621 |
| InChI Key: | DXDJEKWFMCNXGC-VIFPVBQESA-N |