4-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide
4-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide
Compound characteristics
| Compound ID: | S539-0659 |
| Compound Name: | 4-chloro-N-{2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]ethyl}benzamide |
| Molecular Weight: | 420.9 |
| Molecular Formula: | C23 H21 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1C)c1cc2C(N(CCNC(c3ccc(cc3)[Cl])=O)C=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5454 |
| logD: | 3.5454 |
| logSw: | -3.9771 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.475 |
| InChI Key: | KPWQBFSKKSKRPT-UHFFFAOYSA-N |