6-amino-3-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-3-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-3-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 8008-1723 |
| Compound Name: | 6-amino-3-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C22 H17 N7 O3 S |
| Smiles: | [H][C@@]1(C(C#N)=C(N)Oc2c1c(CSc1c(C#N)c(C)cc(C)n1)n[nH]2)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9503 |
| logD: | 2.9503 |
| logSw: | -3.3114 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.659 |
| InChI Key: | MBTPUDMUPNOCRL-SFHVURJKSA-N |