1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2239 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methoxypropyl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 363.48 |
| Molecular Formula: | C17 H25 N5 O2 S |
| Smiles: | COCCCNC(c1cccn1c1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1191 |
| logD: | 3.1191 |
| logSw: | -3.2044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.073 |
| InChI Key: | TWPJMKMBORYLPK-UHFFFAOYSA-N |