N-[2-(dibutylamino)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(dibutylamino)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-[2-(dibutylamino)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1469 |
| Compound Name: | N-[2-(dibutylamino)ethyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 581.82 |
| Molecular Formula: | C31 H47 N7 O2 S |
| Smiles: | CCCCN(CCCC)CCNC(C1CCN(CC1)c1nnc(n2cccc2CNc2ccc(cc2)OCC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9784 |
| logD: | 4.1034 |
| logSw: | -5.2621 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.157 |
| InChI Key: | GZAGYAJMQSDYGJ-UHFFFAOYSA-N |