N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | Y502-2888 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-methyl-4-nitro-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(C(C)n3cc(c(C)n3)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.774 |
| logD: | 1.3667 |
| logSw: | -3.3272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.116 |
| InChI Key: | BRGKDUNPZIYCLQ-UHFFFAOYSA-N |