1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{3-[benzyl(methyl)amino]propyl}-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{3-[benzyl(methyl)amino]propyl}-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{3-[benzyl(methyl)amino]propyl}-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2281 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-{3-[benzyl(methyl)amino]propyl}-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C24 H32 N6 O S |
| Smiles: | CN(CCCNC(c1cccn1c1nnc(N2CCCCCC2)s1)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.318 |
| logD: | 2.8768 |
| logSw: | -3.9983 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.553 |
| InChI Key: | NOLABJKZNSWYRG-UHFFFAOYSA-N |