N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-[(5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-[(5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-[(5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y205-1157 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-2-[(5-cyclopropyl-4-propyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 429.61 |
| Molecular Formula: | C21 H27 N5 O S2 |
| Smiles: | CCCn1c(C2CC2)nnc1SCC(Nc1c(C#N)c2CCCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9175 |
| logD: | 3.8604 |
| logSw: | -4.5473 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.994 |
| InChI Key: | FMIATYFAMQAUEY-UHFFFAOYSA-N |