2-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Chemical Structure Depiction of
2-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
2-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one
Compound characteristics
| Compound ID: | Y043-3248 |
| Compound Name: | 2-({4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl}methyl)-2,5,6,7,8,9-hexahydro-3H-cyclohepta[c]pyridazin-3-one |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C20 H29 N5 O2 |
| Smiles: | Cc1c(CN2CCN(CC2)CN2C(C=C3CCCCCC3=N2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 1.7898 |
| logD: | -0.1388 |
| logSw: | -1.8215 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.569 |
| InChI Key: | HHBKPSXANYPGSN-UHFFFAOYSA-N |