4-chloro-N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-3-nitrobenzamide
4-chloro-N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | F269-0062 |
| Compound Name: | 4-chloro-N-[3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl]-3-nitrobenzamide |
| Molecular Weight: | 388.77 |
| Molecular Formula: | C16 H13 Cl N6 O4 |
| Smiles: | CC1=CC(NC(=N1)n1c(cc(C)n1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4605 |
| logD: | -0.6569 |
| logSw: | -2.7939 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.716 |
| InChI Key: | AGEAUUCUFWTVGC-UHFFFAOYSA-N |