N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-1H-pyrazol-1-yl)propanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y500-1925 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 345.38 |
| Molecular Formula: | C15 H15 N5 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CCn1ccc(n1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.8377 |
| logD: | 0.3249 |
| logSw: | -2.4627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.371 |
| InChI Key: | JWKZBROPVGWQLT-UHFFFAOYSA-N |