2-{[4-amino-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
2-{[4-amino-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | Y502-6055 |
| Compound Name: | 2-{[4-amino-5-(3-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide |
| Molecular Weight: | 475.39 |
| Molecular Formula: | C18 H15 Br N6 O S2 |
| Smiles: | C1Cc2c(C#N)c(NC(CSc3nnc(c4cccc(c4)[Br])n3N)=O)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 3.6207 |
| logD: | 2.5447 |
| logSw: | -4.1539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.426 |
| InChI Key: | QUYVLAMSVHFOIK-UHFFFAOYSA-N |