N-[2-(azepan-1-yl)ethyl]-1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
N-[2-(azepan-1-yl)ethyl]-1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2278 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 416.59 |
| Molecular Formula: | C21 H32 N6 O S |
| Smiles: | C1CCCN(CC1)CCNC(c1cccn1c1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1019 |
| logD: | 2.8165 |
| logSw: | -3.9339 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.773 |
| InChI Key: | GCGHAUSHRJSLBV-UHFFFAOYSA-N |