N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
| Compound ID: | C857-2146 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C22 H25 N5 O3 S |
| Smiles: | Cc1ccc(C)n1c1nnc(N2CCCC(C2)C(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9448 |
| logD: | 2.9448 |
| logSw: | -3.1822 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.176 |
| InChI Key: | ZACUNLAZLHGPKJ-KRWDZBQOSA-N |