N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y501-9500 |
| Compound Name: | N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-{[5-(1,5-dimethyl-1H-pyrazol-3-yl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 489.62 |
| Molecular Formula: | C24 H23 N7 O S2 |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(C)n(C)n2)nnc1SCC(Nc1c(C#N)c2CCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7788 |
| logD: | 2.7863 |
| logSw: | -4.108 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.486 |
| InChI Key: | LIEBYWYJCSAMCY-UHFFFAOYSA-N |