1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,4,6-trimethylphenyl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,4,6-trimethylphenyl)-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,4,6-trimethylphenyl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2165 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(2,4,6-trimethylphenyl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C22 H27 N5 O S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(c1cccn1c1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0592 |
| logD: | 5.0592 |
| logSw: | -4.5335 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.9 |
| InChI Key: | CIJVMUVCPQYEPV-UHFFFAOYSA-N |