3-methyl-N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide
Chemical Structure Depiction of
3-methyl-N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide
3-methyl-N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | V014-3900F |
| Compound Name: | 3-methyl-N-{5-[(3-phenoxypropyl)sulfanyl]-1,3,4-thiadiazol-2-yl}butanamide |
| Molecular Weight: | 351.49 |
| Molecular Formula: | C16 H21 N3 O2 S2 |
| Smiles: | CC(C)CC(Nc1nnc(SCCCOc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6509 |
| logD: | 4.6444 |
| logSw: | -4.2268 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.44 |
| InChI Key: | VCTVIHUGDHZEQC-UHFFFAOYSA-N |