1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carboxamide
1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | E002-2235 |
| Compound Name: | 1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C21 H23 N5 O3 S |
| Smiles: | C1CCCN(CC1)c1nnc(n2cccc2C(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3399 |
| logD: | 4.3399 |
| logSw: | -4.1453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.733 |
| InChI Key: | YMHJSWMMTFTFCB-UHFFFAOYSA-N |