4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
Chemical Structure Depiction of
4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
Compound characteristics
| Compound ID: | Y030-8813 |
| Compound Name: | 4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate |
| Molecular Weight: | 333.41 |
| Molecular Formula: | C16 H19 N3 O3 S |
| Smiles: | CCC(CC)c1nnc(NC(c2ccc(cc2)OC(C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4981 |
| logD: | 3.0033 |
| logSw: | -3.6472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.626 |
| InChI Key: | ADLYXEGBTVTYMA-UHFFFAOYSA-N |