5-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
5-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C171-0079 |
| Compound Name: | 5-(5-chloro-2-methoxyphenyl)-3-(2-methoxyphenyl)-1-(4-methylbenzoyl)tetrahydropyrrolo[3,4-c]pyrazole-4,6(1H,5H)-dione |
| Molecular Weight: | 505.96 |
| Molecular Formula: | C27 H24 Cl N3 O5 |
| Smiles: | Cc1ccc(cc1)C(N1C2C(C(c3ccccc3OC)N1)C(N(C2=O)c1cc(ccc1OC)[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.574 |
| logD: | 3.5728 |
| logSw: | -4.0426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.14 |
| InChI Key: | LQLRQKTUJUBULQ-UHFFFAOYSA-N |