N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L076-0860 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | COc1ccc(CCC(N2CCC(CC2)c2nnc(C(Nc3ccc4c(c3)OCO4)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5176 |
| logD: | 3.5167 |
| logSw: | -3.752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.342 |
| InChI Key: | SBRGNAOUOCXUEF-UHFFFAOYSA-N |