5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0548 |
| Compound Name: | 5-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | C(Cc1nnc(C(Nc2ccccc2)=O)s1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.206 |
| logD: | 1.8617 |
| logSw: | -2.966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.106 |
| InChI Key: | LRZPVFGJVRINPO-UHFFFAOYSA-N |