4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Chemical Structure Depiction of
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
Compound characteristics
| Compound ID: | C163-0059 |
| Compound Name: | 4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C18 H20 Cl N5 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(CCCn3c(C)c(c(n3)[N+]([O-])=O)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9522 |
| logD: | 1.1781 |
| logSw: | -4.2537 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.157 |
| InChI Key: | MDQYZZXBIIQORP-SNVBAGLBSA-N |