1-[3-(2,5-dimethylphenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Chemical Structure Depiction of
1-[3-(2,5-dimethylphenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
1-[3-(2,5-dimethylphenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Compound characteristics
| Compound ID: | V014-5978 |
| Compound Name: | 1-[3-(2,5-dimethylphenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one |
| Molecular Weight: | 463.58 |
| Molecular Formula: | C27 H33 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(C)c(c1)C1CC(c2ccccc2OC)N(C(CN2CCC3(CC2)OCCO3)=O)N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2672 |
| logD: | 4.2174 |
| logSw: | -4.2368 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.659 |
| InChI Key: | SJZAPVXVZXYXDZ-DEOSSOPVSA-N |