N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-4022 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 453.61 |
| Molecular Formula: | C17 H23 N7 O2 S3 |
| Smiles: | CCSc1nnc(NC(CSc2nnc(Cc3cccn3C)n2CCOC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7937 |
| logD: | 2.7914 |
| logSw: | -3.1927 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.491 |
| InChI Key: | YRSMXYJSHJJIIA-UHFFFAOYSA-N |