4-[4-(hexyloxy)-3-methoxyphenyl]-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-[4-(hexyloxy)-3-methoxyphenyl]-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-[4-(hexyloxy)-3-methoxyphenyl]-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D074-0560 |
| Compound Name: | 4-[4-(hexyloxy)-3-methoxyphenyl]-5-(2-hydroxyethyl)-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C26 H31 N3 O5 |
| Smiles: | CCCCCCOc1ccc(cc1OC)C1c2c(c3ccccc3O)n[nH]c2C(N1CCO)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2044 |
| logD: | 5.1928 |
| logSw: | -4.6234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.727 |
| InChI Key: | NJHAJCMQRFEAJM-VWLOTQADSA-N |