5-chloro-N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-nitrobenzamide
Chemical Structure Depiction of
5-chloro-N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-nitrobenzamide
5-chloro-N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | F269-0537 |
| Compound Name: | 5-chloro-N-[1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]-2-nitrobenzamide |
| Molecular Weight: | 416.82 |
| Molecular Formula: | C18 H17 Cl N6 O4 |
| Smiles: | CCC1=C(C)N=C(NC1=O)n1c(cc(C)n1)NC(c1cc(ccc1[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2389 |
| logD: | -1.146 |
| logSw: | -3.4274 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.569 |
| InChI Key: | KAGAKFCMCQOXMY-UHFFFAOYSA-N |