4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate
Chemical Structure Depiction of
4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate
4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate
Compound characteristics
| Compound ID: | Y031-0820 |
| Compound Name: | 4-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C15 H17 N3 O3 S |
| Smiles: | CCCCc1nnc(NC(c2ccc(cc2)OC(C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1705 |
| logD: | 2.6615 |
| logSw: | -3.4273 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.121 |
| InChI Key: | ZRVJTGFPXIDTCE-UHFFFAOYSA-N |