4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Chemical Structure Depiction of
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Compound characteristics
| Compound ID: | C226-4309 |
| Compound Name: | 4-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide |
| Molecular Weight: | 452.33 |
| Molecular Formula: | C17 H18 Br N5 O3 S |
| Smiles: | Cc1c(c(nn1CCCC(Nc1c(C#N)c2CCCCc2s1)=O)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.5675 |
| logD: | 0.7935 |
| logSw: | -2.5856 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.157 |
| InChI Key: | YBUFZGJBXYPHMX-UHFFFAOYSA-N |