5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-1218 |
| Compound Name: | 5-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CCC(NCc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9539 |
| logD: | 2.9538 |
| logSw: | -3.4161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.644 |
| InChI Key: | XTKMBAQRTQYWSL-UHFFFAOYSA-N |