1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperazin-1-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-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C794-1599 |
| Compound Name: | 1-(5-{2-[(4-ethoxyanilino)methyl]-1H-pyrrol-1-yl}-1,3,4-thiadiazol-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C28 H40 N8 O2 S |
| Smiles: | CCOc1ccc(cc1)NCc1cccn1c1nnc(N2CCC(CC2)C(NCCN2CCN(C)CC2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.943 |
| logD: | 2.2755 |
| logSw: | -3.1892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.426 |
| InChI Key: | ZWPNRRWASZIBRO-UHFFFAOYSA-N |