3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Chemical Structure Depiction of
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Compound characteristics
Compound ID: | Y500-2892 |
Compound Name: | 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3(4H)-yl)propanamide |
Molecular Weight: | 418.47 |
Molecular Formula: | C18 H22 N6 O4 S |
Smiles: | CCCc1cc2C(N(C(C)=Nc2s1)NC(CCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.5471 |
logD: | 1.5471 |
logSw: | -2.4349 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 97.787 |
InChI Key: | CBOPKOCKLOLMQB-UHFFFAOYSA-N |