methyl 4-chloro-2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
methyl 4-chloro-2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | E002-1758 |
| Compound Name: | methyl 4-chloro-2-{[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C17 H20 Cl N5 O3 S |
| Smiles: | CC1CCCCN1c1nnc(NC(Nc2cc(ccc2C(=O)OC)[Cl])=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.158 |
| logD: | 4.0554 |
| logSw: | -4.5418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.115 |
| InChI Key: | DFCBXFDXOPMPEK-JTQLQIEISA-N |