3-(2-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
3-(2-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
3-(2-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | Y205-1523 |
| Compound Name: | 3-(2-chlorophenyl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-methyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 411.91 |
| Molecular Formula: | C21 H18 Cl N3 O2 S |
| Smiles: | Cc1c(C(Nc2c(C#N)c3CCCCCc3s2)=O)c(c2ccccc2[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 5.0045 |
| logD: | 2.2516 |
| logSw: | -5.0998 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.392 |
| InChI Key: | PYRADUXWQSGPRH-UHFFFAOYSA-N |