3-chloro-4-fluoro-N-{2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide
Chemical Structure Depiction of
3-chloro-4-fluoro-N-{2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide
3-chloro-4-fluoro-N-{2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | S539-1032 |
| Compound Name: | 3-chloro-4-fluoro-N-{2-[2-(3-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide |
| Molecular Weight: | 440.86 |
| Molecular Formula: | C22 H18 Cl F N4 O3 |
| Smiles: | COc1cccc(c1)c1cc2C(N(CCNC(c3ccc(c(c3)[Cl])F)=O)C=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5668 |
| logD: | 2.5668 |
| logSw: | -3.6057 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.019 |
| InChI Key: | YXQWXDVUJMVZNT-UHFFFAOYSA-N |