4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate
Chemical Structure Depiction of
4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate
4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate
Compound characteristics
| Compound ID: | 0175-5247 |
| Compound Name: | 4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl octanoate |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C18 H23 N3 O3 S |
| Smiles: | CCCCCCCC(=O)Oc1ccc(cc1)C(Nc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5434 |
| logD: | 4.0201 |
| logSw: | -4.3057 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.735 |
| InChI Key: | YIFZDITWVHVXPV-UHFFFAOYSA-N |