N-{3-[benzyl(propan-2-yl)amino]propyl}-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1594 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 615.84 |
| Molecular Formula: | C34 H45 N7 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCCCN(Cc2ccccc2)C(C)C)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.725 |
| logD: | 3.7212 |
| logSw: | -5.2242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.564 |
| InChI Key: | WPOFVBOWBNFAQY-UHFFFAOYSA-N |