N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9934 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[5-(phenylcarbamamido)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C19 H17 N5 O4 S2 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSc1nnc(NC(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7777 |
| logD: | 3.7776 |
| logSw: | -4.024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.763 |
| InChI Key: | FYTYDBRFTNTRNO-UHFFFAOYSA-N |