N-(2H-1,3-benzodioxol-5-yl)-5-(4-{2-[(butan-2-yl)amino]-2-oxoethyl}piperidine-1-carbonyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-(4-{2-[(butan-2-yl)amino]-2-oxoethyl}piperidine-1-carbonyl)-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-(4-{2-[(butan-2-yl)amino]-2-oxoethyl}piperidine-1-carbonyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F865-0655 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-(4-{2-[(butan-2-yl)amino]-2-oxoethyl}piperidine-1-carbonyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C22 H27 N5 O5 S |
| Smiles: | CCC(C)NC(CC1CCN(CC1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5868 |
| logD: | 2.5721 |
| logSw: | -3.2408 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.51 |
| InChI Key: | HECQCYWVZLNQRL-ZDUSSCGKSA-N |