2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8008-9424 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 476.56 |
| Molecular Formula: | C16 H16 N10 O2 S3 |
| Smiles: | Cc1ccc(cc1)NC(CSc1nnc(NC(CSc2nnc3n(cnn23)N)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2019 |
| logD: | 1.2007 |
| logSw: | -2.1695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 123.476 |
| InChI Key: | GMEQFEVAHPEXHX-UHFFFAOYSA-N |