4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
Chemical Structure Depiction of
4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
Compound characteristics
| Compound ID: | 5628-0521 |
| Compound Name: | 4-{[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CC(=O)Oc1ccc(cc1)C(Nc1nnc(CC(C)(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4612 |
| logD: | 2.9522 |
| logSw: | -3.7733 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.121 |
| InChI Key: | NQMKWHDMQFNTJQ-UHFFFAOYSA-N |