N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
Chemical Structure Depiction of
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide
Compound characteristics
| Compound ID: | V028-4731 |
| Compound Name: | N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)hexanamide |
| Molecular Weight: | 428.37 |
| Molecular Formula: | C16 H18 Br N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CCCCCC(Nc1nnc(SCC(c2ccc(cc2)[Br])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.992 |
| logD: | 4.9897 |
| logSw: | -4.5914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.269 |
| InChI Key: | VNQVAPILXUJWGP-UHFFFAOYSA-N |