methyl N-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)-beta-alaninate
Chemical Structure Depiction of
methyl N-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)-beta-alaninate
methyl N-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)-beta-alaninate
Compound characteristics
| Compound ID: | E002-1523 |
| Compound Name: | methyl N-({5-[benzyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)-beta-alaninate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C15 H19 N5 O3 S |
| Smiles: | CN(Cc1ccccc1)c1nnc(NC(NCCC(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0835 |
| logD: | 2.0835 |
| logSw: | -2.7864 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.87 |
| InChI Key: | CQHHAFXGFZPYJJ-UHFFFAOYSA-N |