1-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinan-1-yl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one
Chemical Structure Depiction of
1-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinan-1-yl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one
1-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinan-1-yl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | C762-0329 |
| Compound Name: | 1-{3-[(2,5-dimethylphenyl)methyl]-1,3-diazinan-1-yl}-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)ethan-1-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Cn2c3c(COc4ccc(C)cc34)cn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1986 |
| logD: | 4.1038 |
| logSw: | -4.0454 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.579 |
| InChI Key: | YUOVNFRJOMQMIC-UHFFFAOYSA-N |