N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | E016-0117 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide |
| Molecular Weight: | 423.86 |
| Molecular Formula: | C21 H18 Cl N5 O3 |
| Smiles: | Cc1c(cccc1[Cl])NC(CN1C(c2cc(c3ccc(cc3)OC)nn2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3016 |
| logD: | 3.3015 |
| logSw: | -3.6461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.141 |
| InChI Key: | XHUNXODSYMOERI-UHFFFAOYSA-N |