5-({2-[(3-methylbutyl)amino]-2-oxoethoxy}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-({2-[(3-methylbutyl)amino]-2-oxoethoxy}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-({2-[(3-methylbutyl)amino]-2-oxoethoxy}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0828 |
| Compound Name: | 5-({2-[(3-methylbutyl)amino]-2-oxoethoxy}methyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C17 H22 N4 O3 S |
| Smiles: | CC(C)CCNC(COCc1nnc(C(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8833 |
| logD: | 1.8833 |
| logSw: | -2.4908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.076 |
| InChI Key: | QRLKCAQVCWZTEQ-UHFFFAOYSA-N |