ethyl N-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamoyl)-beta-alaninate
ethyl N-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | L062-0555 |
| Compound Name: | ethyl N-({[5-(phenylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 377.42 |
| Molecular Formula: | C16 H19 N5 O4 S |
| Smiles: | CCOC(CCNC(NCc1nnc(C(Nc2ccccc2)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7869 |
| logD: | 0.7868 |
| logSw: | -2.1707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.548 |
| InChI Key: | WWTJPYPSJLCOKH-UHFFFAOYSA-N |