N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanamide
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y500-1653 |
| Compound Name: | N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | Cc1c(c(C)n(CCC(Nc2c(C#N)c3CCCc3s2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8696 |
| logD: | 0.3367 |
| logSw: | -2.3454 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.565 |
| InChI Key: | JDRMTSXKYKIHIK-UHFFFAOYSA-N |