N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y205-2887 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 347.46 |
| Molecular Formula: | C15 H17 N5 O S2 |
| Smiles: | Cn1cnnc1SCC(Nc1c(C#N)c2CCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3211 |
| logD: | 1.264 |
| logSw: | -2.5607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.984 |
| InChI Key: | OUHUESWMOHSZIK-UHFFFAOYSA-N |