5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0240 |
| Compound Name: | 5-[(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethoxy)methyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(COCC(NCc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5439 |
| logD: | 2.5438 |
| logSw: | -3.0442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.079 |
| InChI Key: | CPLLDCKDGVRXRN-UHFFFAOYSA-N |