methyl 2-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
methyl 2-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | E002-0422 |
| Compound Name: | methyl 2-{[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C15 H17 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(Nc1nnc(N2CCCC2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2113 |
| logD: | 3.2097 |
| logSw: | -3.6174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.196 |
| InChI Key: | OEWANROTSSQZFB-UHFFFAOYSA-N |