methyl 4-chloro-2-{[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
methyl 4-chloro-2-{[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | E002-1362 |
| Compound Name: | methyl 4-chloro-2-{[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 395.87 |
| Molecular Formula: | C16 H18 Cl N5 O3 S |
| Smiles: | COC(c1ccc(cc1NC(Nc1nnc(N2CCCCC2)s1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0093 |
| logD: | 3.9067 |
| logSw: | -4.5466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.83 |
| InChI Key: | KSVUKDNBWQDAJU-UHFFFAOYSA-N |