2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(4-chloroanilino)-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-chloroanilino)-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-chloroanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8009-4236 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 496.98 |
| Molecular Formula: | C15 H13 Cl N10 O2 S3 |
| Smiles: | C(C(Nc1nnc(SCC(Nc2ccc(cc2)[Cl])=O)s1)=O)Sc1nnc2n(cnn12)N |
| Stereo: | ACHIRAL |
| logP: | 1.3733 |
| logD: | 1.372 |
| logSw: | -2.6999 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 123.476 |
| InChI Key: | MVBBLKRWILCEHG-UHFFFAOYSA-N |