N-[3-(4-benzylpiperazin-1-yl)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-(4-benzylpiperazin-1-yl)propyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1593 |
| Compound Name: | N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 642.87 |
| Molecular Formula: | C35 H46 N8 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCCCN2CCN(CC2)Cc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5644 |
| logD: | 3.7448 |
| logSw: | -3.9961 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.49 |
| InChI Key: | SNXLYGDHNQBBNG-UHFFFAOYSA-N |