5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0048 |
| Compound Name: | 5-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-oxobutyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | COc1ccc(cc1)NC(c1nnc(CCCC(NCc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7252 |
| logD: | 2.7251 |
| logSw: | -3.4437 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.188 |
| InChI Key: | ZULCQNVLADLURB-UHFFFAOYSA-N |