methyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
methyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate
Compound characteristics
| Compound ID: | E002-1795 |
| Compound Name: | methyl 4-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)benzoate |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C19 H27 N5 O3 S |
| Smiles: | CC(C)CN(CC(C)C)c1nnc(NC(Nc2ccc(cc2)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4686 |
| logD: | 5.4686 |
| logSw: | -5.4462 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.362 |
| InChI Key: | AVXFDMLYDCIZMY-UHFFFAOYSA-N |