N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(cyclohexylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(cyclohexylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(cyclohexylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9860 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(cyclohexylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C18 H21 N5 O4 S2 |
| Smiles: | C1CCC(CC1)NC(Nc1nnc(SCC(Nc2ccc3c(c2)OCO3)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8205 |
| logD: | 3.8204 |
| logSw: | -3.8806 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.488 |
| InChI Key: | KPLHTKLUXSILTG-UHFFFAOYSA-N |