1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2161 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 395.53 |
| Molecular Formula: | C21 H25 N5 O S |
| Smiles: | Cc1ccc(C)c(c1)NC(c1cccn1c1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9227 |
| logD: | 4.9227 |
| logSw: | -4.4846 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.598 |
| InChI Key: | BMFQSTQCHPHPQR-UHFFFAOYSA-N |