1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-benzylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-benzylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-benzylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2286 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(4-benzylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C26 H35 N7 O S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2C(NCCN2CCN(CC2)Cc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9106 |
| logD: | 3.7721 |
| logSw: | -3.8567 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.982 |
| InChI Key: | ZNSSFFKJZVRMRW-UHFFFAOYSA-N |