N-(5-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
N-(5-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8009-4237 |
| Compound Name: | N-(5-{[2-(4-acetylanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-[(7-amino-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 504.57 |
| Molecular Formula: | C17 H16 N10 O3 S3 |
| Smiles: | CC(c1ccc(cc1)NC(CSc1nnc(NC(CSc2nnc3n(cnn23)N)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3206 |
| logD: | 0.3194 |
| logSw: | -2.0965 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 137.303 |
| InChI Key: | BAQJYOBUBBYVCL-UHFFFAOYSA-N |