2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]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-oxo-2-(10H-phenothiazin-10-yl)ethyl]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-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 8009-7121 |
| Compound Name: | 2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]-N-(5-{[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)acetamide |
| Molecular Weight: | 568.68 |
| Molecular Formula: | C21 H16 N10 O2 S4 |
| Smiles: | C(C(Nc1nnc(SCC(N2c3ccccc3Sc3ccccc23)=O)s1)=O)Sc1nnc2n(cnn12)N |
| Stereo: | ACHIRAL |
| logP: | 2.3454 |
| logD: | 2.3442 |
| logSw: | -2.783 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.702 |
| InChI Key: | PPSCDSKQIQTPDI-UHFFFAOYSA-N |