2-[(7-amino-7,7a-dihydro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Chemical Structure Depiction of
2-[(7-amino-7,7a-dihydro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
2-[(7-amino-7,7a-dihydro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8010-3583 |
| Compound Name: | 2-[(7-amino-7,7a-dihydro-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 533.44 |
| Molecular Formula: | C15 H14 Cl2 N10 O2 S3 |
| Smiles: | C(C(Nc1nnc(SCC(Nc2ccc(c(c2)[Cl])[Cl])=O)s1)=O)SC1=NNC2N(C=NN12)N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9367 |
| logD: | 2.9285 |
| logSw: | -3.5007 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 129.605 |
| InChI Key: | MOJOKKYDZNRRHH-CYBMUJFWSA-N |