N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | 8015-8999 |
| Compound Name: | N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(4-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 345.38 |
| Molecular Formula: | C15 H15 N5 O3 S |
| Smiles: | C1Cc2c(C#N)c(NC(CCCn3cc(cn3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | ACHIRAL |
| logP: | 1.3081 |
| logD: | -0.4862 |
| logSw: | -2.1935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.39 |
| InChI Key: | QPBJGAHIRNZRFG-UHFFFAOYSA-N |