1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1436 |
| Compound Name: | 1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[2-(morpholin-4-yl)ethyl]piperidine-4-carboxamide |
| Molecular Weight: | 539.7 |
| Molecular Formula: | C27 H37 N7 O3 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCCN2CCOCC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0297 |
| logD: | 2.939 |
| logSw: | -3.1364 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.858 |
| InChI Key: | KGNQBVIPNVXSJX-UHFFFAOYSA-N |