N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | Y503-0304 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C22 H21 N3 O2 S |
| Smiles: | Cc1c(C(Nc2c(C#N)c3CCCCCCc3s2)=O)c(c2ccccc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.9538 |
| logD: | 3.1345 |
| logSw: | -4.7084 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.392 |
| InChI Key: | NXKOYVAULDCALT-UHFFFAOYSA-N |