5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0485 |
| Compound Name: | 5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | C(Cc1nnc(C(Nc2ccccc2)=O)s1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3388 |
| logD: | 2.3387 |
| logSw: | -3.0459 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.644 |
| InChI Key: | CRWPYPWKBQHIAN-UHFFFAOYSA-N |