2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | C592-2652 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C21 H23 N7 O S3 |
| Smiles: | CCSc1nnc(NC(CSc2nnc(Cc3cccn3C)n2Cc2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3845 |
| logD: | 4.3823 |
| logSw: | -4.2514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.898 |
| InChI Key: | VTOYBCGPAOOQEU-UHFFFAOYSA-N |