1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1596 |
| Compound Name: | 1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-(3-ethoxypropyl)piperidine-4-carboxamide |
| Molecular Weight: | 512.67 |
| Molecular Formula: | C26 H36 N6 O3 S |
| Smiles: | CCOCCCNC(C1CCN(CC1)c1nnc(n2cccc2CNc2ccc(cc2)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9534 |
| logD: | 3.9534 |
| logSw: | -3.6958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.216 |
| InChI Key: | BTJYSAHMLVEQFO-UHFFFAOYSA-N |