1-(adamantan-1-yl)-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-en-1-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-en-1-one
1-(adamantan-1-yl)-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y500-0772 |
| Compound Name: | 1-(adamantan-1-yl)-3-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}prop-2-en-1-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | Cc1c(c(C)n(Cc2cc(/C=C/C(C34CC5CC(CC(C5)C4)C3)=O)ccc2OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6263 |
| logD: | 5.6263 |
| logSw: | -5.5669 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.939 |
| InChI Key: | QNPMMGIKKSPCBU-UHFFFAOYSA-N |