methyl 2-({5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 2-({5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
methyl 2-({5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-0637 |
| Compound Name: | methyl 2-({5-[butyl(methyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C16 H21 N5 O3 S |
| Smiles: | CCCCN(C)c1nnc(NC(Nc2ccccc2C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5841 |
| logD: | 3.5825 |
| logSw: | -3.7586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.582 |
| InChI Key: | YVKGIHDBKBOFOL-UHFFFAOYSA-N |