N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1761 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3c(c(C)nn3C)[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5809 |
| logD: | -2.3607 |
| logSw: | -2.8833 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.749 |
| InChI Key: | BPPCPJTYTXGHJO-MRVPVSSYSA-N |