N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-1488 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 397.41 |
| Molecular Formula: | C18 H15 N5 O4 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccc(Cn3cc(cn3)[N+]([O-])=O)o1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.0496 |
| logD: | 1.0713 |
| logSw: | -3.447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.829 |
| InChI Key: | XMOSFWOSXRHNIE-UHFFFAOYSA-N |