N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G015-0246 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | COc1ccc(CCNC(c2cccn2c2nnc(N3CCCC3)s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0782 |
| logD: | 3.0782 |
| logSw: | -3.4003 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.755 |
| InChI Key: | SEJJTICZETZKEG-UHFFFAOYSA-N |