4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(furan-2-yl)methyl]piperidine-1-carboxamide
Chemical Structure Depiction of
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(furan-2-yl)methyl]piperidine-1-carboxamide
4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(furan-2-yl)methyl]piperidine-1-carboxamide
Compound characteristics
| Compound ID: | L077-0736 |
| Compound Name: | 4-{5-[(2H-1,3-benzodioxol-5-yl)carbamoyl]-1,3,4-thiadiazol-2-yl}-N-[(furan-2-yl)methyl]piperidine-1-carboxamide |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | C1CN(CCC1c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6857 |
| logD: | 2.6848 |
| logSw: | -3.1544 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.218 |
| InChI Key: | OFRDMEBSKWVUHC-UHFFFAOYSA-N |