3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide
Chemical Structure Depiction of
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-2895 |
| Compound Name: | 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)propanamide |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C18 H20 N6 O4 S |
| Smiles: | CC1=Nc2c(C(N1NC(CCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O)c1CCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 1.0687 |
| logD: | 1.0686 |
| logSw: | -1.7071 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.074 |
| InChI Key: | KORRQXOIAHGZCJ-UHFFFAOYSA-N |