1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methylbutyl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methylbutyl)-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methylbutyl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | C795-1776 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-(3-methylbutyl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 361.51 |
| Molecular Formula: | C18 H27 N5 O S |
| Smiles: | CC(C)CCNC(c1cccn1c1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4532 |
| logD: | 4.4532 |
| logSw: | -3.9317 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.731 |
| InChI Key: | QWKQQVJJIYRROQ-UHFFFAOYSA-N |